3-Methylbutyl phenylacetate

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Names

[ CAS No. ]:
102-19-2

[ Name ]:
3-Methylbutyl phenylacetate

[Synonym ]:
3-Methylbutyl phenylacetate
Isopentyl 2-phenylacetate
MFCD00026517
Isopentyl phenylacetate
3-methylbutyl 2-phenylacetate
Isoamyl phenylacetate
Benzeneacetic acid, 3-methylbutyl ester
EINECS 203-012-6

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
274.8±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C13H18O2

[ Molecular Weight ]:
206.281

[ Flash Point ]:
103.2±17.1 °C

[ Exact Mass ]:
206.130676

[ PSA ]:
26.30000

[ LogP ]:
3.91

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

[ Index of Refraction ]:
1.494

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ2945000
CHEMICAL NAME :
Acetic acid, phenyl-, isopentyl ester
CAS REGISTRY NUMBER :
102-19-2
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H18-O2
MOLECULAR WEIGHT :
206.31
WISWESSER LINE NOTATION :
1Y12OV1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit

MUTATION DATA

TYPE OF TEST :
Gene conversion and mitotic recombination
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
20 ug/disc
REFERENCE :
OEKSDJ Osaka-furitsu Koshu Eisei Kenkyusho Kenkyu Hokoku, Shokuhin Eisei Hen. Research Reports of the Osaka Prefectural Institute of Public Health, Food Sanitation Section. (Osaka-furitsu Koshu Eisei Kenkyusho, 1-3-69 Nakamichi, Higashinari-ku, Osaka 537, Japan) No.1- 1970- Volume(issue)/page/year: 9,177,1978

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
AJ2945000

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phenylacetic acid
  • 3-Methyl-1-butanol
  • Methyl 2-phenylacetate

DownStream

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 3-methylbutyl 2-amino-2-phenylacetate
  • 3-methylbutyl 2-[N-[2-(diethylamino)ethyl]anilino]-2-phenylacetate
  • 3-Methylbutyl 5-bromo-2-hydroxybenzoate
  • 3-Methylbutyl 2-hydroxy-5-iodobenzoate
  • 3-methylbutyl nitrite
  • 3-methylbutyl octadecanoate
  • N-(benzo[c][1,2,5]thiadiazol-4-yl)-6-(1H-pyrazol-1-yl)pyridazine-3-carboxamide
  • Methyl 3-hydroxy-1-methylcyclopentanecarboxylate
  • 4-benzyl-N-(4-(2-(methylamino)-2-oxoethyl)thiazol-2-yl)-5-oxomorpholine-3-carboxamide
  • N-(4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl)-2-methylbenzamide
  • 3-bromo-N-(4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl)benzamide
  • (4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
  • 2-Amino-1-[4-methoxy-3-(propan-2-yl)phenyl]ethan-1-one hydrochloride
  • Dimethyl L-Cystine 2HCl
  • 5-(6-Hydrazino-3-pyridyl)-3-methyl-1,2,4-oxadiazole
  • 2-Hydrazinyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridine
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