Octyl acetate

Names

[ CAS No. ]:
112-14-1

[ Name ]:
Octyl acetate

[Synonym ]:
Acetic acid, octyl ester
n-Octyl ethanoate
EINECS 203-939-6
ACETIC ACID OCTYL ESTER
Octyl ethanoate
Acetic acid n-octyl ester
1-Octyl acetate
Caprylyl acetate
Capryl acetate
n-Octyl Acetate
MFCD00009562
Octyl acetate
n-Octanyl acetate

Biological Activity

[Description]:

Octyl acetate is one of major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). Octyl acetate has antioxidant activity[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Carroll MJ, et al. Heritability estimates for octyl acetate and octyl butyrate in the mature fruit of the wild parsnip. J Hered. 2000 Jan-Feb;91(1):68-71.

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
210.3±3.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₀H₂₀O₂

[ Molecular Weight ]:
172.265

[ Flash Point ]:
86.1±0.0 °C

[ Exact Mass ]:
172.146332

[ PSA ]:
26.30000

[ LogP ]:
3.90

[ Vapour density ]:
5.9 (vs air)

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.423

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AJ1400000

CHEMICAL NAME :: Acetic acid, octyl ester

CAS REGISTRY NUMBER :: 112-14-1

BEILSTEIN REFERENCE NO. :: 1754554

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H20-O2

MOLECULAR WEIGHT :: 172.30

WISWESSER LINE NOTATION :: 8OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,805,1974 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,815,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,815,1974

Safety Information

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
2

[ RTECS ]:
AJ1400000

[ HS Code ]:
2915390090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2915390090

[ Summary ]:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

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