heptanoic acid
CAS No.: 111-14-8 Formula: C7H14O2 Molecular Weight: 130.18500
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heptanoic acid

CAS No.: 111-14-8 Formula: C7H14O2 Molecular Weight: 130.18500
Suppliers: All (63) China Suppliers (63) Price Available (13) Contractor (6)

Description

Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether.

Properties

Appearance & Physical State clear to light yellow liquid
Density 0.918
Boiling Point 223-223.4ºC
Melting Point -10.5ºC
Flash Point 99.2ºC
Refractive Index 1.4214-1.4234
Water Solubility 0.24 g/100 mL (15 ºC)
Stability Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.
Vapor Density 4.5 (vs air)
Vapor Pressure <0.1 mm Hg ( 20 °C)

Safety Info

RTECS MJ1575000
Hazard Class 8
Safety Statements S26-S28-S36/37/39-S45
HS Code 2915900090
Packing Group III
WGK Germany 1
RIDADR UN 3265
Risk Statements R34
Hazard Codes C
Hazard Declaration H314; H332; H335
Symbol GHS05, GHS07
Caution Statement P260; P280; P303 + P361 + P353; P304 + P340 + P310; P305 + P351 + P338 + P310
Signal Word Danger
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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 heptanoic acid

1.2 Other means of identification

Product number -
Other names hexane-6-carboxyamide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Uncategorized
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
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

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

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
heptanoic acid heptanoic acid 111-14-8 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. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

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. Do NOT induce vomiting. Give one or two glasses of water to drink. Rest. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Harmful if swallowed, inhaled, or absorbed through skin. Extremely destructive to mucous membranes, upper respiratory tract, skin, and eyes. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, 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

FIRST AID ... Inhalation-Fresh air, rest. Half-upright position. Artificial respiration if indicated. Refer for medical attention; Skin-Remove contaminated clothes. Rinse skin with plenty of water or shower; Eyes-First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor; Ingestion-Rinse mouth. Do NOT induce vomiting. Give plenty of water to drink. Rest. Refer for medical attention ... The symptoms of lung oedema often do not become manifest until a few hours have passed and they are aggravated by physical effort. Rest and medical observation is therefore essential.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

... FIRE FIGHTING /with/ Powder, water spray, foam, carbon dioxide.

5.2 Specific hazards arising from the chemical

This chemical is probably 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

Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Personal protection: complete protective clothing including self-contained breathing apparatus.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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 bases and food and feedstuffs.Separated from bases, food and feedstuffs.

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 to light yellow liquid
Colour CLEAR OILY LIQUID
Odour Disagreeable, rancid odor; faint tallow-like odor when spectroscopically pure.
Melting point/ freezing point -8°C(lit.)
Boiling point or initial boiling point and boiling range 223°C(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 113°C
Auto-ignition temperature 380°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 3.40 cP at 30°C; 0.82 cP at 120°C
Solubility In water:0.24 g/100 mL (15 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 2.42
Vapour pressure <0.1 mm Hg ( 20 °C)
Density and/or relative density 0.918g/mLat 25°C(lit.)
Relative vapour density 4.5 (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

CombustibleHEPTANOIC ACID reacts exothermically with bases. Can react, particularly if moist, with active metals to form gaseous hydrogen and a metal salt. Such reactions are slow if the acid remains dry. Corrodes or dissolves iron, steel, and aluminum parts and containers under ordinary conditions. Reacts with cyanide salts to generate gaseous hydrogen cyanide, particuarly if moist. May generate flammable and/or toxic gases with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts exothermically with carbonates and bicarbonates to generate a harmless gas (carbon dioxide). Can be oxidized exothermically by strong oxidizing agents and reduced exothermically by strong reducing agents. A wide variety of products is possible. May initiate polymerization reactions; may catalyze chemical reactions.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 7,000 mg/kg
  • Inhalation: LD50 Rat inhalation >4.6 mg/L
  • 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: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Heptanoic acid reached 44, 61, 54, and 58% of its theoretical BOD after 2, 5, 10, and 30 days, respectively, using a domestic sewage inoculum and a heptanoic acid concn of 3.1 ppm(1). Heptanoic acid, present at an initial concn of 500 ppm, was degraded 24.6, 36.1, and 49.2% of its theoretical BOD after 72 hours, by activated sludge obtained from three different treatment plants(2). In a Warburg test using an activated sludge inoculum acclimated to phenol, heptanoic acid, present at a concn of 500 ppm, reached 27% of its theoretical BOD after 12 hours(3). A 99% BOD reduction was observed for heptanoic acid after 16 days using an activated sludge system operated under semi-continuous conditions(4). In Warburg respirometer tests using an activated sludge seed, heptanoic acid, present at a concn of 500 ppm, reached 12.8, 25.4, and 42.6% of its theoretical oxygen demand after 6, 12, and 24 hours incubation, respectively(5). A total organic carbon removal ratio of 96% was observed for heptanoic acid using a non-acclimated activated sludge and an initial heptanoic acid concn of 100 mg total organic carbon/L(6).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for heptanoic acid(SRC), using a log Kow of 2.42(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 undissociated heptanoic acid is estimated as 490(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated heptanoic acid is expected to have moderate mobility in soil. The pKa of heptanoic acid is 4.8(4), indicating that this compound will exist almost entirely in 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: UN3265 IMDG: UN3265 IATA: UN3265

14.2 UN Proper Shipping Name

ADR/RID: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
IATA: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
heptanoic acid heptanoic acid 111-14-8 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not 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
13C NMR : in CDCl3Expand

NMR Spectrum 13C NMR : in CDCl3

Collapse

C7 H14 O2 0.5 ml : 1.5 ml CDCl3
heptanoic acid

ppm Int. Assign.
180.82 1000 1
34.25 778 2
31.55 869 3
28.85 810 4
24.74 837 5
22.56 910 6
14.03 643 7

IR : liquid filmExpand
Mass spectrum (electron ionization)Expand
Raman : 4880 A,150M,liquidExpand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 7 gm/kg 1.Details of toxic effects not reported other than lethal dose value
Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 6400 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Intravenous LD50 - Lethal dose, 50 percent kill Rodent - mouse 1200 mg/kg 1.Behavioral-convulsions or effect on seizure threshold
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