Phenethyl butyrate

Modify Date: 2024-01-11 19:33:58

Phenethyl butyrate Structure
Phenethyl butyrate structure
Common Name Phenethyl butyrate
CAS Number 103-52-6 Molecular Weight 192.254
Density 1.0±0.1 g/cm3 Boiling Point 270.0±9.0 °C at 760 mmHg
Molecular Formula C12H16O2 Melting Point N/A
MSDS Chinese USA Flash Point 109.9±17.1 °C

 Names

Name phenethyl butyrate
Synonym More Synonyms

 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

 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

~99%

Phenethyl butyrate Structure

Phenethyl butyrate

CAS#:103-52-6

Literature: Chen, Chien-Tien; Kuo, Jen-Huang; Pawar, Vijay D.; Munot, Yogesh S.; Weng, Shieu-Shien; Ku, Cheng-Hsiu; Liu, Cheng-Yuan Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1188 - 1197

~94%

Phenethyl butyrate Structure

Phenethyl butyrate

CAS#:103-52-6

Literature: Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying Tetrahedron, 2011 , vol. 67, # 9 p. 1640 - 1648

~90%

Phenethyl butyrate Structure

Phenethyl butyrate

CAS#:103-52-6

Literature: Mamedov Russian Journal of Applied Chemistry, 2006 , vol. 79, # 3 p. 408 - 410

~68%

Phenethyl butyrate Structure

Phenethyl butyrate

CAS#:103-52-6

Literature: Chatterjee, Tanmay; Saha, Debasree; Ranu, Brindaban C. Tetrahedron Letters, 2012 , vol. 53, # 32 p. 4142 - 4144

~%

Phenethyl butyrate Structure

Phenethyl butyrate

CAS#:103-52-6

Literature: Russian Journal of Applied Chemistry, , vol. 79, # 3 p. 408 - 410

 Synonyms

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