2-Methyl-4-phenyl-butyric acid

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Names

[ CAS No. ]:
1949-41-3

[ Name ]:
2-Methyl-4-phenyl-butyric acid

[Synonym ]:
2-methyl-4-phenyl-1-butanoic acid
(+-)-2-Methyl-4-phenyl-buttersaeure
BUTYRIC ACID,2-METHYL-4-PHENYL
2-Methyl-4-phenyl-butyric acid

Chemical & Physical Properties

[ Density]:
1.068g/cm3

[ Boiling Point ]:
298.3ºC at 760 mmHg

[ Molecular Formula ]:
C11H14O2

[ Molecular Weight ]:
178.22800

[ Flash Point ]:
195.4ºC

[ Exact Mass ]:
178.09900

[ PSA ]:
37.30000

[ LogP ]:
2.33990

[ Vapour Pressure ]:
0.000574mmHg at 25°C

[ Index of Refraction ]:
1.526

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET5750050
CHEMICAL NAME :
Butyric acid, 2-methyl-4-phenyl-
CAS REGISTRY NUMBER :
1949-41-3
BEILSTEIN REFERENCE NO. :
1911280
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
QVY1&2R

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 :
712 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

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID
  • Benzyl chloride
  • benzyl 2-benzylsulfonyl-4-phenylbutyrate
  • 3-methyloxolane-2,5-dione
  • Isovalerophenone
  • benzene

DownStream

  • 2-Methyl-1-naphthol
  • 1-Acetoxy-2-met hoxynaphthalene
  • 2-Methyl-1-tetralone
  • 3-methyl-5-phenylpentan-2-ol
  • 3-chloro-1-phenylbutane

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-amino-2-methyl-4-phenyl-butyric acid
  • 3-Hydroxy-2-methyl-4-phenyl-butyric acid methyl ester
  • 2-Methoxymethoxy-2-methyl-4-phenyl-butyric acid methylsulfanylmethyl ester
  • 2-Methoxymethoxy-2-methyl-4-phenyl-butyric acid methanesulfinylmethyl ester
  • 2-methyl-4-oxo-4-phenyl-butyric acid methyl ester
  • 2-methyl-4-(4-propionylphenyl)butyric acid methyl ester