Acetic acid, 3-heptanol ester supplier

Name
3-hydroxyheptyl acetate
EINECS
CAS No. 39920-56-4
Density 0.976g/cm³
Solubility
Melting Point
Formula C₉H₁₈O₃
Boiling Point 209.9°Cat760mmHg
Molecular Weight 174.27
Flash Point 72.3°C
Transport Information
Appearance
Safety Mildly toxic by ingestion. A skin and eye irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Ethylamylester kyseliny octove;Acetic acid,3-heptanol ester;ACETIC ACID,3-HYDROXYHEPTYL ESTER;1-Ethylamylester kyseliny octove [Czech];
PSA 46.53000
LogP 1.49070

Acetic acid, 3-heptanol ester Chemical Properties

Molecular Formula: C₉H₁₈O₃
Molecular Weight: 174.237420 g/mol
The Molecular Structure of Acetic acid, 3-heptanol ester (CAS NO.39920-56-4) :
IUPAC: 3-hydroxyheptyl acetate
Classification: Skin / Eye Irritant
Nominal Mass: 174 Da
Average Mass: 174.2374 Da
Monoisotopic Mass: 174.125594 Da
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 5.5): 11.69
ACD/BCF (pH 7.4): 11.69
ACD/KOC (pH 5.5): 202.34
ACD/KOC (pH 7.4): 202.34
Polar Surface Area: 35.53Å²
Index of Refraction: 1.439
Molar Refractivity: 47.01 cm³
Molar Volume: 178.4 cm³
Surface Tension: 33.4 dyne/cm
Density: 0.976 g/cm³
Flash Point: 72.3 °C
Enthalpy of Vaporization: 51.9 kJ/mol
Boiling Point: 209.9 °C at 760 mmHg
Vapour Pressure: 0.0453 mmHg at 25°C
InChI: InChI=1/C9H18O3/c1-3-4-5-9(11)6-7-12-8(2)10/h9,11H,3-7H2,1-2H3
Smiles: C([C@@H](CCCC)O)COC(C)=O

Acetic acid, 3-heptanol ester Toxicity Data With Reference

1.	skn-rbt 10 mg/24H MLD	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
2.	eye-rbt 500 mg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
3.	orl-rat LD50:8350 mg/kg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.

Acetic acid, 3-heptanol ester Safety Profile

Mildly toxic by ingestion. A skin and eye irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.

Acetic acid, 3-heptanol ester Specification

Acetic acid, 3-heptanol ester (CAS NO.39920-56-4) is also called as 1-Ethylamylester kyseliny octove ; 1-Ethylamylester kyseliny octove [Czech] ; Acetic acid, 3-hydroxyheptyl ester .

Product Name

3-hydroxyheptyl acetate

Acetic acid, 3-heptanol ester Chemical Properties

Acetic acid, 3-heptanol ester Toxicity Data With Reference

Acetic acid, 3-heptanol ester Safety Profile

Acetic acid, 3-heptanol ester Specification

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