Octyl acetate

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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

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

  • 1-Bromooctane
  • 1-Octanol
  • Ammonium acetate
  • Ethanoic anhydride
  • N5-acetyl-DBN*BPh4
  • 1-Chlorooctane
  • Potassium acetate
  • acetic acid
  • Allyl acetate
  • 2-OCTYLOXYTETRAHYDRO-2H-PYRAN

DownStream

  • 5-Methoxy-2-methyl-1H-indole
  • octyl benzoate
  • octene
  • 1-Octanol
  • acetic acid
  • P-TOLUENESULFONIC ACID N-OCTYL ESTER
  • octyl nitrite
  • Octyl nitrate
  • n-heptanoic acid
  • Octanoic acid

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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Related Compounds

  • Octyl Acetate
  • 2-octyl acetate
  • 2-Octyl acetate
  • 4-octyl acetate
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