Basic information
- Name:
Heptanoic acid
- CAS No.:
111-14-8
- Molecular Structure:
- Formula:
- C7H14O2
- Molecular Weight:
- 130.18
- Synonyms:
- 1-Hexanecarboxylicacid;Enanthic acid;Enanthylic acid;Heptoic acid;Heptylic acid;Oenanthic acid;Oenanthylic acid;n-Heptanoic acid;n-Heptoic acid;n-Heptylicacid;
- EINECS:
- 203-838-7
- Density:
- 0.938 g/cm3
- Melting Point:
- -10.5 ºC
- Boiling Point:
- 222.6 ºC at 760 mmHg
- Flash Point:
- 99.2 ºC
- Solubility:
- 0.24 g/100 mL (15 ºC) in water
- Appearance:
- clear to light yellow liquid
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-28-36/37/39-45-28A Details
- Transport Information:
- UN 3265 8/PG 3
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Chemistry
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IUPAC Name: Heptanoic acid
Molecular Formula: C7H14O2
Molecular Weight: 130.18 g/mol
SMILES: C(CC(O)=O)CCCC
InChI: InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
EINECS: 203-838-7
Product Categories: Pharmaceutical Intermediates; Alkylcarboxylic Acids; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Aliphatics; Carboxylic Acids
Stability: Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.
Water Solubility: 0.24 g/100 mL (15 °C)
Index of Refraction: 1.432
Molar Refractivity: 36.04 cm3
Molar Volume: 138.7 cm3
Polarizability: 14.28×10-24 cm3
Surface Tension: 32.9 dyne/cm
Density: 0.938 g/cm3
Flash Point: 99.2 °C
Enthalpy of Vaporization: 48.52 kJ/mol
Boiling Point: 222.6 °C at 760 mmHg
Melting Point: -10.5 °C
Vapour Pressure of Heptanoic acid (CAS NO.111-14-8): 0.0578 mmHg at 25 °C
Uses
Heptanoic acid (CAS NO.111-14-8) is used in the preparation of esters, such as ethyl heptanoate, which are used in fragrances and as artificial flavors.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 1200mg/kg (1200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961. |
| mouse | LD50 | oral | 6400mg/kg (6400mg/kg) | Biochemical Journal. Vol. 34, Pg. 1196, 1940. | |
| rat | LD50 | oral | 7gm/kg (7000mg/kg) | Food & Drug Research Laboratories, Inc., Papers. Vol. 123, Pg. -, 1976. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-28-36/37/39-45-28A
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 3
WGK Germany: 1
RTECS: MJ1575000
HazardClass: 8
PackingGroup of Heptanoic acid (CAS NO.111-14-8): III
Specification
Heptanoic acid (CAS NO.111-14-8), its Synonyms are 1-Hexanecarboxylic acid ; Enanthic acid ; Enanthylic acid ; Heptoic acid ; Heptylic acid ; Oenanthic acid ; Oenanthylic acid ; N-Heptanoic acid . It is colourless liquid with a pungent and rancid odour. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether.