Phenethyl butyrate

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Names

[ CAS No. ]:
103-52-6

[ Name ]:
Phenethyl butyrate

[Synonym ]:
2-phenylethyl butanoate
MFCD00048718
Butanoic acid, 2-phenylethyl ester
EINECS 203-119-8
β-Phenylethyl butyrate
Phenethyl butyrate
2-Phenylethyl butyrate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
270.0±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C12H16O2

[ Molecular Weight ]:
192.254

[ Flash Point ]:
109.9±17.1 °C

[ Exact Mass ]:
192.115036

[ PSA ]:
26.30000

[ LogP ]:
3.36

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.497

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET5956200
CHEMICAL NAME :
Butyric acid, phenethyl ester
CAS REGISTRY NUMBER :
103-52-6
BEILSTEIN REFERENCE NO. :
1955788
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H16-O2
MOLECULAR WEIGHT :
192.28
WISWESSER LINE NOTATION :
3VO2R

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: 17,889,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4600 uL/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: 17,889,1979
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JEENAI Journal of Economic Entomology. (Entomological Soc. of America, 4603 Calvert Rd., College Park, MD 20740) V.1- 1908- Volume(issue)/page/year: 48,139,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 mL/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: 17,889,1979

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
ET5956200

Synthetic Route

Precursor & DownStream

Precursor

  • Butanoic anhydride
  • Phenethyl alcohol
  • ethyl butanoate
  • Butyric Acid
  • Methyl butyrate
  • benzene

DownStream

  • cressanther

Related Compounds

  • Phenethyl butyrate
  • sec-phenethyl butyrate
  • alpha-methyl phenethyl butyrate
  • phenethyl 2-chloropropanoate
  • phenethyl-2 furanne
  • phenethyl-succinic acid diamide