2-Phenoxybutyric acid

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Names

[ CAS No. ]:
13794-14-4

[ Name ]:
2-Phenoxybutyric acid

[Synonym ]:
EINECS 237-449-9
Butyric acid,2-phenoxy
DL-2-Phenoxybutyric acid
Butanoic acid,2-phenoxy
2-Phenoxy-butyric acid
phenoxybutyric acid
MFCD00002666
(2RS)-2-phenoxybutyric acid

Chemical & Physical Properties

[ Density]:
1.14 g/cm3

[ Boiling Point ]:
258ºC

[ Melting Point ]:
79-83ºC

[ Molecular Formula ]:
C10H12O3

[ Molecular Weight ]:
180.20000

[ Flash Point ]:
115.3ºC

[ Exact Mass ]:
180.07900

[ PSA ]:
46.53000

[ LogP ]:
1.92860

[ Vapour Pressure ]:
0.00721mmHg at 25°C

[ Index of Refraction ]:
1.524

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET5956250
CHEMICAL NAME :
Butyric acid, 2-phenoxy-
CAS REGISTRY NUMBER :
13794-14-4
BEILSTEIN REFERENCE NO. :
2048912
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H12-O3
MOLECULAR WEIGHT :
180.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 18,642,1963

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RTECS ]:
ET5956250

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-phenoxybutyric acid, 3-(3,4-epoxy-4-methylcyclohexyl)butyl ester
  • 2-phenoxybutyric acid, 3-(4-methyl-3-cyclohexenyl)butylester
  • 2-Bromobutyric acid
  • Phenol
  • Methyl 2-bromobutyrate
  • Sodium benzenolate
  • Ethanol

DownStream

  • [2,6-di(propan-2-yl)phenyl] 2-(4-methylpiperazin-1-yl)propanoate,dihydrochloride
  • Butanoic acid,2-(2,4-dichlorophenoxy)-
  • 2-(4-methylphenyl)sulfonylethyl 2-phenoxybutanoate
  • 2-(2,4-diiodophenoxy)butanoic acid
  • propicillin
  • 2-phenoxybutyryl chloride

Customs

[ HS Code ]: 2918990090

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • (S)-2-phenoxybutyric acid
  • 2-Phenoxybutyric acid sodium salt
  • 2-phenoxybutyric acid 2-(toluene-4-sulfonyl)ethyl ester
  • 2-phenoxybutyric acid, 3-(4-methyl-3-cyclohexenyl)butylester
  • 2-phenoxybutyric acid, 3-(3,4-epoxy-4-methylcyclohexyl)butyl ester
  • ethyl 2-phenoxybutanoate
  • 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