| Identification | More | [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 Properties | Back 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 Data | Back 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 |
| Hazard Information | Back 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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