Phenethyl acetate

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Names

[ CAS No. ]:
103-45-7

[ Name ]:
Phenethyl acetate

[Synonym ]:
Acetic acid phenethyl ester
Acetic Acid 2-Phenylethyl Ester
Phenethyl acetate
2-Phenylethyl acetate
Acetic acid, 2-phenylethyl ester
EINECS 203-113-5
MFCD00008720

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
233.3±9.0 °C at 760 mmHg

[ Melting Point ]:
-31 °C

[ Molecular Formula ]:
C10H12O2

[ Molecular Weight ]:
164.201

[ Flash Point ]:
101.7±0.0 °C

[ Exact Mass ]:
164.083725

[ PSA ]:
26.30000

[ LogP ]:
2.30

[ Vapour density ]:
5.67 (vs air)

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.502

[ Water Solubility ]:
NEGLIGIBLE

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ2220000
CHEMICAL NAME :
Acetic acid, phenethyl ester
CAS REGISTRY NUMBER :
103-45-7
BEILSTEIN REFERENCE NO. :
0638179
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22
WISWESSER LINE NOTATION :
1VO2R

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: 12,957,1974 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3670 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/m3
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Blood - normocytic anemia Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(10),83,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3670 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6210 mg/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: 12,957,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3670 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8735 mg/kg/17W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2315 No. of Facilities: 1887 (estimated) No. of Industries: 9 No. of Occupations: 14 No. of Employees: 26636 (estimated) No. of Female Employees: 21723 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
2430.0

[ WGK Germany ]:
1

[ RTECS ]:
AJ2220000

[ Hazard Class ]:
8.0

[ HS Code ]:
2915390090

Synthetic Route

Precursor & DownStream

Precursor

  • vinyl acetate
  • Phenethyl alcohol
  • Phenethyl(triethylsilyl) ether
  • Ethanoic anhydride
  • tert-butyl-dimethyl-(2-phenylethoxy)silane
  • SodiuM bicarbonate
  • Methanol
  • tert-butyl-diphenyl-(2-phenylethoxy)silane
  • Ammonium acetate
  • N5-acetyl-DBN*BPh4

DownStream

  • Benzeneethanol,4-nitro-, 1-acetate
  • 2-(2-nitrophenyl)ethyl acetate
  • 2-(2-Aminophenyl)ethanol
  • 4-(2-Methoxyethyl)phenol
  • 2-(2,4-Dinitrophenyl)ethanol
  • 2-Cyclohexylethanol
  • (2-Chloroethyl)benzene
  • Acetyl chloride
  • Phenacyl acetate
  • 4-(2-Hydroxyethyl)benzonitrile

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

  • Phenethyl acetate-d3
  • (R)-1-phenethyl acetate
  • 4-nitrophenethyl acetate
  • 2-chlorophenethyl acetate
  • 4-methoxyphenethyl acetate
  • 2-(CHLOROMETHYL)PHENETHYL ACETATE