Phenethyl isobutyrate

Names

[ CAS No. ]:
103-48-0

[ Name ]:
Phenethyl isobutyrate

[Synonym ]:
2-Phenylethyl 2-methylpropanoate
MFCD00026441
Isobutyric Acid Phenethyl Ester
Isobutyric Acid 2-Phenylethyl Ester
2-Phenylethyl Isobutyrate
Propanoic acid, 2-methyl-, 2-phenylethyl ester
EINECS 203-116-1
Phenethyl isobutyrate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
264.0±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₂H₁₆O₂

[ Molecular Weight ]:
192.254

[ Flash Point ]:
108.3±0.0 °C

[ Exact Mass ]:
192.115036

[ PSA ]:
26.30000

[ LogP ]:
3.18

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.495

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ5435000

CHEMICAL NAME :: Isobutyric acid, phenethyl ester

CAS REGISTRY NUMBER :: 103-48-0

BEILSTEIN REFERENCE NO. :: 2330243

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C12-H16-O2

MOLECULAR WEIGHT :: 192.28

WISWESSER LINE NOTATION :: 1Y1&VO2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5200 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: 16,847,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83219 No. of Facilities: 67 (estimated) No. of Industries: 2 No. of Occupations: 20 No. of Employees: 3895 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83219 No. of Facilities: 833 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 6853 (estimated) No. of Female Employees: 3615 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
NQ5435000

[ HS Code ]:
2915600000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Articles

Fragrance material review on phenethyl isobutyrate.

Food Chem. Toxicol. 50 Suppl 2 , S416-9, (2012)

A toxicologic and dermatologic review of phenethyl isobutyrate when used as a fragrance ingredient is presented. Phenethyl isobutyrate is a member of the fragrance structural group Aryl Alkyl Alcohol ...