Phenylethyl isovalerate

Modify Date: 2024-01-08 17:27:46

Phenylethyl isovalerate Structure
Phenylethyl isovalerate structure
 Common Name Phenylethyl isovalerate
CAS Number 140-26-1 Molecular Weight 206.281
Density 1.0±0.1 g/cm3 Boiling Point 281.9±9.0 °C at 760 mmHg
Molecular Formula C13H18O2 Melting Point N/A
MSDS Chinese USA Flash Point 108.0±17.1 °C

 Names

Name 2-Phenylethyl Isovalerate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 281.9±9.0 °C at 760 mmHg
Molecular Formula C13H18O2
Molecular Weight 206.281
Flash Point 108.0±17.1 °C
Exact Mass 206.130676
PSA 26.30000
LogP 3.71
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.494

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1511500
CHEMICAL NAME :
Isovaleric acid, phenethyl ester
CAS REGISTRY NUMBER :
140-26-1
BEILSTEIN REFERENCE NO. :
2504902
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C13-H18-O2
MOLECULAR WEIGHT :
206.31
WISWESSER LINE NOTATION :
1Y1&1VO2R

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 :
6220 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6220 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 :
>5 gm/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: 12,961,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
6220 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4859 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

 Safety Information

Personal Protective Equipment Eyeshields;Gloves
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 1
RTECS NY1511500
HS Code 2915600000

 Synthetic Route

3-Methylbutanoic acid structure

3-Methylbutanoi...

CAS#:503-74-2

Phenethyl alcohol structure

Phenethyl alcohol

CAS#:60-12-8

~89%

Phenylethyl isovalerate Structure

Phenylethyl iso...

CAS#:140-26-1

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

Phenethyl alcohol

CAS#:60-12-8

3-Methylbutanoyl chloride structure

3-Methylbutanoy...

CAS#:108-12-3

~%

Phenylethyl isovalerate Structure

Phenylethyl iso...

CAS#:140-26-1

Literature: Scientific Papers of the Institute of Physical and Chemical Research (Japan), , vol. 33, p. 13,64 Chem. Zentralbl., , vol. 109, # I p. 1682
benzene structure

benzene

CAS#:71-43-2

~%

Phenylethyl isovalerate Structure

Phenylethyl iso...

CAS#:140-26-1

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

3-Methylbutanoi...

CAS#:503-74-2

(2-Bromoethyl)benzene structure

(2-Bromoethyl)b...

CAS#:103-63-9

~%

Phenylethyl isovalerate Structure

Phenylethyl iso...

CAS#:140-26-1

Literature: Phytochemistry (Elsevier), , vol. 9, p. 2517 - 2527

 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%

 Synonyms

Isovaleric Acid Phenethyl Ester
2-Phenylethyl 3-methylbutanoate
Isovaleric Acid 2-Phenylethyl Ester
MFCD00044322
EINECS 205-406-3
Benzyl carbinyl isovalerianate,Phenethyl isopentanoate
Butanoic acid, 3-methyl-, 2-phenylethyl ester
Phenylethyl isovalerate
β-Phenylethyl isovalerate
Phenethyl Isovalerate
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