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
  • Silicon(1+), (1-(bis(2-hydroxyethyl)amino)-2-propanolato(3-)-N,O,O',O'') (ethylmethylsulfonium eta-methylide)-, iodide, (TB-5-34)-
  • Phosphorous acid, P,P'-(oxybis(methyl-2,1-ethanediyl)) P,P'-bis(hexamethyl-7,15,23,23-tetraphenoxy-3,6,8,11,14,16,19,22-octaoxa-7,15,23-triphosphatricos-1-yl) P,P'-diphenyl ester
  • Phenol, tetrapropylene-, 1,1'-(hydrogen phosphorodithioate)
  • 2-Tridecoxycarbonylbenzoic acid;tri(propan-2-yloxy)alumane
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, mixt. with (+-)-alpha-methylbenzeneethanamine sulfate (2:1)
  • hexachloroplatinum(2-);hydron;tributylphosphane;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;hydrochloride
  • Cardiotoxin VII1 (Naja melanoleuca)
  • Benzenesulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-(4-morpholinyl)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, tetrasodium salt
  • Azepan-2-one;1,3-dioxo-2-benzofuran-5-carboxylic acid
  • Nickel, bis((2-(hydroxy-kappaO)-4-octylphenyl)phenylmethanonato-kappaO)-
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