Home >  Chemical Encyclopedia > 2-Ethylhexanoic acid
149-57-5 structure, C8H16O2
2-Ethylhexanoic acid
CAS No.: 149-57-5 Formula: C8H16O2 Molecular Weight: 144.21100
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2-Ethylhexanoic acid

CAS No.:

149-57-5

Formula:

C8H16O2

Molecular Weight: 144.21100
Suppliers: All (174) China Suppliers (101) Price Available (24) Contractor (6)

Description

2-Ethylhexanoic acid is the organic compound with the formula CH3(CH2)3CH(C2H5)CO2H. This carboxylic acid is widely used to prepare metal derivatives that are soluble in nonpolar organic solvents. These lipophilic metal-containing derivatives are used as catalysts in polymerizations. For example, tin 2-ethylhexanoate is used in the production of poly(lactic-co-glycolic acid). The high solubility of these metal complexes is attributable to the long hydrocarbon chain and the presence of a chiral center which leads to mixtures of enantiomeric complexes. These metal complexes are often described as salts, when in fact they are not ionic but charge-neutral coordination complexes akin to the better defined, more crystalline acetates.

Numbering system

BRN number 1750468
PubChem number 24878352
RTECS number MO7700000
MDL number MFCD00002675
EINECS number 205-743-6

Properties

Appearance & Physical State

clear liquid

Density

0.906

Boiling Point

228ºC

Melting Point

-59ºC

Flash Point

114ºC

Refractive Index

1.424-1.426

Water Solubility

2 g/L (20 ºC)

Stability

Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases.

Storage Condition

Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Density

4.98 (vs air)

Vapor Pressure

<0.01 mm Hg ( 20 °C)

Safety Info

RTECS

MO7700000

Hazard Class

6.1

Safety Statements

S36/37

HS Code

29159080

Packing Group

II

WGK Germany

1

RIDADR

UN 3265 8/PG 2

Risk Statements

R63

Hazard Codes

Xn

Hazard Declaration

H361d

Caution Statement

P280

Symbol

GHS08

Signal Word

Warning

SDS 1.0

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SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Ethylhexanoic acid

1.2 Other means of identification

Product number -
Other names Octanoic Acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

none

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
2-Ethylhexanoic acid 2-Ethylhexanoic acid 149-57-5 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Harmful if swallowed, inhaled or absorbed through skin. Material is extremely destructive to tissues of mucous membranes and upper respiratory tract, eyes and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx, bronchii, chemical pneumonitis and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. (USCG, 1999)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Call for medical aid. Vapor irritating to eyes, nose, and throat. If inhaled, will cause coughing or difficult breathing. If breathing stopped, give artificial respiration. If breathing is difficult, give oxygen. Liquid will burn skin and eyes. If swallowed will cause nausea and vomiting. Remove contaminated clothing and shoes. Flush affected areas with plenty of water. If in eyes, hold eyelids open, and flush with plenty of water.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Combustible. Water may be ineffective on fire. Wear self-contained breathing apparatus and protective clothing. Extinguish with dry chemical, alcohol foam, or carbon dioxide.

5.2 Specific hazards arising from the chemical

This chemical is combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Do NOT absorb in saw-dust or other combustible absorbents. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place. Do NOT absorb in saw-dust or other combustible absorbents. Do NOT let this chemical enter the environment.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from strong oxidants. Store in an area without drain or sewer access.Separated from strong oxidants. Store in an area without drain or sewer access.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state clear liquid
Colour Clear liquid
Odour Mild odor
Melting point/ freezing point 150°C(lit.)
Boiling point or initial boiling point and boiling range 228°C(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit Lower flammable limit: 0.8% by volume; Upper flammable limit: 6.0% by volume
Flash point 114°C
Auto-ignition temperature 370.56°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 7.8 mPa s
Solubility In water:2 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 2.64
Vapour pressure <0.01 mm Hg ( 20 °C)
Density and/or relative density 0.903g/mLat 25°C(lit.)
Relative vapour density 4.98 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

ETHYLHEXOIC ACID is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

The substance is a strong reducing agent and reacts with oxidants.

10.6 Hazardous decomposition products

When heated to decomposition, it emits acrid and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 1.6 to 3 g/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50 /Oncorrhynchus mykiss (Rainbow trout)/ 180 mg/L/96 hr; static
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: EC50 Scenedesmus subspicatus 49.279 mg/L/72 hr; Effect: inhibition of algal replication /Conditions of bioassay not specified in source examined
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Using an enrichment sediment consortium from the Pearl River, Guangzhou City, China and incubated using a shake-flask technique, 2-ethylhexanoic acid exhibited a biodegradation rate constant of 6.3X10-3 mmol/hr(1), corresponding to a half-life of approximately 5 days(SRC). Products included butanoic acid and ethanoic acid(1). A 4% decrease in the initial 2-ethylhexanoic acid concn of 5.1 mg/L was observed after 21 days incubation in an aerobic mixed bacterial culture obtained from trench leachate at a low-level radioactive waste disposal site in Maxey Flats, KY(2). A 50% decrease in the initial 2-ethylhexanoic acid concn of 59.5 mg/L was observed after 21 days incubation in an aerobic mixed bacterial culture obtained from trench leachate at a low-level radioactive waste disposal site in West Valley, NY(2). Decreases of 16 and 24% in the initial 2-ethylhexanoic acid concn of 67.8 mg/L were observed after 21 days incubation in an aerobic mixed bacterial culture and a nitrogen amended bacterial culture, respectively obtained from trench leachate at a low-level radioactive waste disposal site in West Valley, NY(2).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for 2-ethylhexanoic acid(SRC), using a log Kow of 2.64(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of 2-ethylhexanoic acid is estimated as 650(SRC), using a log Kow of 2.64(1)((1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-ethylhexanoic acid is expected to have low mobility in soil. The estimated pKa of 2-ethylhexanoic acid is 4.70(4), indicating that this compound will partially exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
2-Ethylhexanoic acid 2-Ethylhexanoic acid 149-57-5 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

MSDS

Expand
1H NMR : 400 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 400 MHz in CDCl3

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C8 H16 O2 0.05 ml : 0.5 ml CDCl3
2-ethylhexanoic acid

149-57-5 NMR spectrum

Assign. Shift(ppm)
A 11.7
B 2.285
C 1.64
D *1 1.55
E *1 1.50
F 1.32
G 0.944
J 0.897

IR : liquid filmExpand
Mass spectrum (electron ionization)Expand
Raman : 4880 A,100M,liquidExpand
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