2-Isopropyl-2-phenylacetic acid

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Names

[ CAS No. ]:
3508-94-9

[ Name ]:
2-Isopropyl-2-phenylacetic acid

[Synonym ]:
(+)-3-METHYL-2-PHENYLBUTYRIC ACID
1-Isopropyl-1-phenyl acetic acid
2-ISOPROPYL-2-PHENYLACETIC ACID
Alpha-Isopropylphenylacetic Acid
2-Phenylisovaleric acid
MFCD00021708
isopropylphenylacetic acid
3-methyl-2-phenyl-butyricaci
RARECHEM AL BO 0360
2-phenyl-3-methylbutyric acid
3-Methyl-2-phenylbutyric acid
2-Phenyl-3-methylbutanoic acid
3-methyl-2-phenyl-butyricacid

Chemical & Physical Properties

[ Density]:
1.063g/cm3

[ Boiling Point ]:
282ºC at 760mmHg

[ Melting Point ]:
59-61°C

[ Molecular Formula ]:
C11H14O2

[ Molecular Weight ]:
178.22800

[ Flash Point ]:
179.2ºC

[ Exact Mass ]:
178.09900

[ PSA ]:
37.30000

[ LogP ]:
2.51080

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET5750060
CHEMICAL NAME :
Butyric acid, 3-methyl-2-phenyl-
CAS REGISTRY NUMBER :
3508-94-9
BEILSTEIN REFERENCE NO. :
2045915
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
QVYR&Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1193 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 16,23,1961

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RTECS ]:
ET5750060

[ HS Code ]:
2916399090

Precursor & DownStream

Precursor

  • 2-Iodopropane
  • Phenylacetic acid
  • 2-PHENYL-3-METHYLBUTANOICACID,METHYLESTER
  • 2-Bromopropane
  • 2-Isopropyl-2-phenylacetonitrile
  • (E)-(2-NITROVINYL)BENZENE
  • Bromo(isopropyl)magnesium
  • Diethyl phenylmalonate
  • Benzyl cyanide
  • 3-methyl-2-phenyl-but-1-en-1-one

DownStream

  • (R)-3-Methyl-2-phenylbutanoic acid
  • (AS)-A-ISOPROPYLBENZENEACETIC ACID
  • β-Isopropyl-N,N-dimethylbenzeneethanamine
  • (2-Methyl-1-methylenepropyl)benzene
  • UNII:OC2500269O

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

  • 2-isopropyl-2-propylmalonic acid
  • 2-isopropyl-2-methylmalonic acid
  • 2-(2-naphthalenyl)phenylacetic acid
  • 2-(diethylamino)-2-phenylacetic acid
  • 2-Bromo-2-phenylacetic acid
  • 2-(nitrooxy)-2-phenylacetic acid
  • 4-Bromo-6-chloroquinolin-4-ol
  • (Z)-3-(1,3-Benzodioxol-5-yl)-2-cyano-N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]prop-2-enamide
  • (1R,2R)-2-((2-Chlorobenzyl)amino)cyclopentan-1-ol
  • (1R,2R)-2-(cycloheptylamino)cyclopentan-1-ol
  • (1R,2R)-2-((2-Methoxybenzyl)amino)cyclopentan-1-ol
  • (1R,2R)-2-{[2-(4-fluorophenyl)ethyl]amino}cyclopentan-1-ol
  • rac-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
  • methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
  • 5-(4-((1,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy)piperidine-1-carbonyl)-4-methoxy-1-phenylpyridin-2(1H)-one
  • 4-((1-(1-(benzo[d]oxazol-2-yl)pyrrolidine-2-carbonyl)piperidin-4-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
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