3-methyl-3-phenylbutanoic acid

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Names

[ CAS No. ]:
1010-48-6

[ Name ]:
3-methyl-3-phenylbutanoic acid

[Synonym ]:
3,3-dimethyl-3-phenylpropionic acid
3-phenyl-3-methylbutanoic acid
3-Phenylisopentanoic acid
3-phenyl-3-methylbutyric acid
3-methyl-3-phenylbutyric acid
3-Methyl-3-phenyl-butanoic acid

Chemical & Physical Properties

[ Density]:
1.065g/cm3

[ Boiling Point ]:
286.6ºC at 760mmHg

[ Melting Point ]:
60°C

[ Molecular Formula ]:
C11H14O2

[ Molecular Weight ]:
178.22800

[ Flash Point ]:
183.8ºC

[ Exact Mass ]:
178.09900

[ PSA ]:
37.30000

[ LogP ]:
2.43890

[ Vapour Pressure ]:
0.00122mmHg at 25°C

[ Index of Refraction ]:
1.519

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5158800
CHEMICAL NAME :
Hydrocinnamic acid, beta,beta-dimethyl-
CAS REGISTRY NUMBER :
1010-48-6
BEILSTEIN REFERENCE NO. :
2088152
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
QV1X1&1&R

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 :
1550 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

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,3-Dimethylacrylic acid
  • benzene
  • Carbon dioxide
  • 3-methyl-3-phenylpropylmagnesium chloride
  • 2-Pentanone,4-methyl-4-phenyl-
  • 2-methyl-2-phenylpropyl chloride
  • 2-methyl-2-phenylpropylmagnesium chloride
  • 3-methyl-3-phenylbutanenitrile
  • thf

DownStream

  • (1,2-Dimethylpropyl)benzene
  • Benzenepropanol, g,g-dimethyl-
  • 4,4-Dimethyl-3,4-dihydro-1(2H)-naphthalenone
  • Benzeneacetic acid,2-benzoyl-a,a-dimethyl-
  • tert-Pentylbenzene
  • Benzenebutanol, d,d-dimethyl-
  • 4,4-DIMETHYLISOCHROMAN-1,3-DIONE
  • 2,5-dimethyl-2,5-diphenyl-hexane
  • 6-Hydroxy-3,3-dimethylindan-1-one
  • 3,3-Dimethyl-1-indanone

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-3-methyl-3-phenylbutanoic acid hydrochloride
  • (S)-3-METHYL-PYRROLIDINEHYDROCHLORIDE
  • (2S,3S)-3-amino-2-methyl-3-phenylbutanoic acid,hydrochloride
  • (S)-2-AMINO-3-(DIMETHYLAMINO)PROPANOICACIDDIHYDROCHLORIDEMONOHYDRATE
  • 3-methyl-3-phosphonohexanedioic acid
  • 3-methyl-3-pentyl-pentanedioic acid
  • Indolizin-2-yl(3-(pyridin-4-yloxy)pyrrolidin-1-yl)methanone
  • 3,3,3-Trifluoro-1-[3-(pyridin-4-yloxy)pyrrolidin-1-yl]propan-1-one
  • 1-(3-(Pyridin-4-yloxy)pyrrolidin-1-yl)-2-(4-(trifluoromethyl)phenyl)ethanone
  • 2-(Pyridin-3-yl)-1-(3-(pyridin-4-yloxy)pyrrolidin-1-yl)ethanone
  • (5-Methylisoxazol-4-yl)(3-(pyridin-4-yloxy)pyrrolidin-1-yl)methanone
  • 1-(3-(Pyridin-4-yloxy)pyrrolidin-1-yl)-2-(thiophen-3-yl)ethanone
  • 2-Methyl-1-oxo-1-(3-(pyridin-4-yloxy)pyrrolidin-1-yl)propan-2-yl acetate
  • 2-(Benzyloxy)-1-(3-(pyridin-4-yloxy)pyrrolidin-1-yl)ethanone
  • 3-(2-Oxo-2-(3-(pyridin-4-yloxy)pyrrolidin-1-yl)ethyl)oxazolidin-2-one
  • (5-Methylpyrazin-2-yl)(3-(pyridin-4-yloxy)pyrrolidin-1-yl)methanone