ChemicalBook--->CAS DataBase List--->6303-58-8

6303-58-8

6303-58-8 Structure

6303-58-8 Structure
IdentificationMore
[Name]

4-Phenoxybutanoic acid
[CAS]

6303-58-8
[Synonyms]

4-PHENOXYBUTANOIC ACID
4-PHENOXYBUTYRIC ACID
4-PHENOXY-N-BUTYRIC ACID
AKOS BBS-00007709
AURORA 4256
GAMMA-PHENOXYBUTYRIC ACID
OTAVA-BB BB0109160009
4-phenoxy-butyricaci
Phenoxybutyricacid,97%
4-Phenoxybutyricacid,99%
4-PHENOXYBUTYRIC ACID 98+%
[EINECS(EC#)]

228-603-6
[Molecular Formula]

C10H12O3
[MDL Number]

MFCD00042656
[Molecular Weight]

180.2
[MOL File]

6303-58-8.mol
Chemical PropertiesBack Directory
[Melting point ]

63-65 °C
[Boiling point ]

170 °C / 7mmHg
[density ]

1.143±0.06 g/cm3(Predicted)
[solubility ]

ethanol: 0.1 g/mL, clear
[form ]

powder to crystaline
[pka]

4.56±0.10(Predicted)
[color ]

White to Yellow to Orange
[BRN ]

1640610
[InChI]

1S/C10H12O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
[InChIKey]

YKYVPFIBWVQZCE-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCOc1ccccc1
[CAS DataBase Reference]

6303-58-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

ET5956300
[HS Code ]

2918.29.7500
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Magnesium-->Phenol-->1,4-Dibromobutane
[Preparation Products]

4-Phenoxybutyl bromide
Spectrum DetailBack Directory
[Spectrum Detail]

4-Phenoxybutanoic acid(6303-58-8)MS
4-Phenoxybutanoic acid(6303-58-8)1HNMR
4-Phenoxybutanoic acid(6303-58-8)13CNMR
4-Phenoxybutanoic acid(6303-58-8)IR1
4-Phenoxybutanoic acid(6303-58-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Phenoxybutyric acid, 99%(6303-58-8)
[Sigma Aldrich]

6303-58-8(sigmaaldrich)
[TCI AMERICA]

4-Phenoxybutyric Acid,>97.0%(T)(6303-58-8)
Hazard InformationBack Directory
[Purification Methods]

It has been purified by recrystallisation from pet ether, *C6H6, Et2O/pet ether, EtOH and from H2O. It can be steam distilled or distilled in a good vacuum. [UV: Ramart-Lucas & Hoch Bull Soc Chim Fr [4] 51 824 1932, Dann & Arndt Justus Liebigs Ann Chem 587 38 1954.] The acid chloride has b 154-156o/20mm [Hamford & Adams J Am Chem Soc 57 921 1935], and the amide crystallises from *C6H6 as needles with m 113o. [Beilstein 6 IV 645.]
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