2,2-Dimethyl-3-phenylpropanoic acid

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Names

[ CAS No. ]:
5669-14-7

[ Name ]:
2,2-Dimethyl-3-phenylpropanoic acid

[Synonym ]:
Benzenepropanoic acid, α,α-dimethyl-
Benzyldimethylacetic acid
2,2-Dimethyl-3-phenylpropanoic acid
a,a-Dimethyl-benzenepropanoic acid
2,2-Dimethyl-3-phenyl-propionsaeure
2,2-dimethyl-3-phenylpropionic acid

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
288.3±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C11H14O2

[ Molecular Weight ]:
178.228

[ Flash Point ]:
185.4±13.9 °C

[ Exact Mass ]:
178.099380

[ PSA ]:
37.30000

[ LogP ]:
2.54

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

[ Index of Refraction ]:
1.528

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5158000
CHEMICAL NAME :
Hydrocinnamic acid, alpha,alpha-dimethyl-
CAS REGISTRY NUMBER :
5669-14-7
BEILSTEIN REFERENCE NO. :
1943807
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
QVX1&1&1R

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 :
740 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzyl chloride
  • Isobutyric acid
  • Ethyl-2, 2-dimethyl-3-phenylpropanoate
  • Benzyl isobutyrate
  • 2,2-dimethyl-3-phenylpropanenitrile
  • 5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane
  • Pivalic acid
  • Benzyl bromide
  • methyl 2,2-dimethyl-3-phenylpropanoate
  • bis-trimethylsilyl ketene acetal

DownStream

  • Ethyl-2, 2-dimethyl-3-phenylpropanoate
  • 2,2-Dimethyl-3-phenyl-1-propanol
  • Phentermine Hydrochloride
  • 2-Methyl-1-phenyl-2-propanol
  • (2-chloro-2-methyl-propyl)benzene
  • 2,2-dimethyl-3H-inden-1-one
  • methyl 2,2-dimethyl-3-phenylpropanoate
  • 2,2-dimethyl-2,3-dihydro-1H-indene

Related Compounds

  • 3-hydroxy-2,2-dimethyl-3-phenylpropanoic acid
  • 3-Hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanoic acid
  • 2,2-Dimethyl-3-butynoic acid
  • 2,2-dimethyl-3-hydroxyundecanoic acid
  • 2,2-dimethyl-3-sulfanylidenebutanoic acid
  • 2,2-Dimethyl-3-pentenoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine