CAS 103-48-0|Phenethyl isobutyrate

Introduction：Basic information about CAS 103-48-0|Phenethyl isobutyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles1
7. Synonyms

Common Name	Phenethyl isobutyrate
CAS Number	103-48-0	Molecular Weight	192.254
Density	1.0±0.1 g/cm3	Boiling Point	264.0±9.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₆O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	108.3±0.0 °C

Names

Name	phenethyl isobutyrate
Synonym	More Synonyms

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
InChIKey	JDQVBGQWADMTAM-UHFFFAOYSA-N
SMILES	CC(C)C(=O)OCCc1ccccc1

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

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%

Articles1

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 ...

Synonyms

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

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