2-Phenoxybutyric acid

Modify Date: 2025-08-21 14:05:45

2-Phenoxybutyric acid Structure
2-Phenoxybutyric acid structure
 Common Name 2-Phenoxybutyric acid
CAS Number 13794-14-4 Molecular Weight 180.20000
Density 1.14 g/cm3 Boiling Point 258ºC
Molecular Formula C10H12O3 Melting Point 79-83ºC
MSDS N/A Flash Point 115.3ºC

 Names

Name 2-phenoxybutanoic acid
Synonym More Synonyms

 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

2-phenoxybutyric acid, 3-(3,4-epoxy-4-methylcyclohexyl)butyl ester structure

2-phenoxybutyri...

CAS#:64125-57-1

2-phenoxybutyric acid, 3-(4-methyl-3-cyclohexenyl)butylester structure

2-phenoxybutyri...

CAS#:51275-62-8

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Literature: US4036629 A1, ;
2-Bromobutyric acid structure

2-Bromobutyric acid

CAS#:80-58-0

Phenol structure

Phenol

CAS#:108-95-2

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Literature: Journal of Medicinal Chemistry, , vol. 37, # 11 p. 1712 - 1719
N/A structure

N/A

CAS#:92016-89-2

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Literature: Journal of the Chemical Society, , p. 4210 - 4218
Phenol structure

Phenol

CAS#:108-95-2

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Literature: Journal of the Chemical Society, , p. 4210 - 4218
N/A structure

N/A

CAS#:90843-51-9

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Literature: Journal of the Chemical Society, , p. 4210 - 4218
Methyl 2-bromobutyrate structure

Methyl 2-bromob...

CAS#:3196-15-4

Phenol structure

Phenol

CAS#:108-95-2

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Literature: Archiv der Pharmazie (Weinheim, Germany), , vol. 292, p. 565,574, 577
3-Phenoxy-pentanon-(2) structure

3-Phenoxy-penta...

CAS#:91970-24-0

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 34, p. 560 - 565,561 - 565
Sodium benzenolate structure

Sodium benzenolate

CAS#:139-02-6

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 34, p. 560 - 565,561 - 565
Ethanol structure

Ethanol

CAS#:64-17-5

2-phenoxy-butyronitrile structure

2-phenoxy-butyr...

CAS#:6441-22-1

~%

2-Phenoxybutyric acid Structure

2-Phenoxybutyri...

CAS#:13794-14-4

Ammonia structure

Ammonia

CAS#:7664-41-7

Literature: Chemische Berichte, , vol. 29, p. 1427

 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%

 Synonyms

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
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