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Basic Information
CAS No.: 540-07-8
Name: PENTYL HEXANOATE
Article Data: 13
Molecular Structure:
Molecular Structure of 540-07-8 (PENTYL HEXANOATE)
Formula: C11H22 O2
Molecular Weight: 186.294
Synonyms: Amylcaproate; Amyl capronate; Amyl hexanoate; NSC 46119; NSC 53794; Pentylcaproate; Pentyl hexanoate; n-Amyl caproate; n-Pentyl hexanoate
Density: 0.872g/cm3
Melting Point: -47°C
Boiling Point: 224.7°Cat760mmHg
Flash Point: 87.9°C
Hazard Symbols: Xi
Risk Codes: 36/38-36/37/38
Safety: Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 26.30000
LogP: 3.30010
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Chemistry

Chemistry informtion about Pentyl Caproate (CAS NO.540-07-8) is:
IUPAC Name: Pentyl Hexanoate
Synonyms: Amyl Capronate ; Amyl Hexoate ; Amylcapronate ; N-Amyl N-Hexanoate ; N-Amyln-Caproate ; Pentyl Caproate ; Pentyl Ester Hexanoic Acid ; Pentylcaproate
Product Categories: A-B ; Alphabetical Listings ; Flavors and Fragrances 
MF: C11H22O2
MW: 186.29
EINECS: 208-732-4 
Density: 0.872 g/cm3
Flash Point: 87.9 °C
Boiling Point: 224.7 °C at 760 mmHg
Vapour Pressure: 0.09 mmHg at 25°C 
Enthalpy of Vaporization: 46.12 kJ/mol
Refractive Index: n20/D 1.42(lit.)
FEMA: 2074
Merck: 605
Following is the molecular structure of Pentyl Caproate (CAS NO.540-07-8) is:

Production

Raw materials are p-Toluenesulfonic acid -->Hexanoic acid --> Isoamyl Alcohol .

Toxicity Data With Reference

Safty information about Pentyl Caproate (CAS NO.540-07-8) is:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 285, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 285, 1988.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. 
WGK Germany: 2
RTECS: MO8421700