Basic information
- CAS
2364-59-2- Standard SMILES
CCOC(=O)CCCOc1ccccc1- InChIKey
XSVIVXBQBFMYCS-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Ethyl 4-phenoxybutanoate
- IUPAC
- ethyl 4-phenoxybutanoate
- English name
- 4-Phenoxy-n-butyric acid ethyl ester
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
Ethyl 4-phenoxybutanoate2364-59-2Ethyl 4-PhenoxybutyrateButanoic acid, 4-phenoxy-, ethyl ester4-phenoxy-n-butyric acid ethyl esterMFCD013211824-phenoxy-butyric acid ethyl esterEthyl 4-phenoxybutanoate #SCHEMBL189266SCHEMBL767042SCHEMBL3170001SCHEMBL17048204
Show more names
Ethyl4-Phenoxybutyrate>ETHYL 4-PHENOXY-N-BUTYRATEethyl 4-(phenoxy)butanoate4-Phenoxybutanoic acid ethyl esterButanoic acid,4-phenoxy-, ethyl ester4-PHENOXY-N-BUTYRIC ACID ETHYL ESTER 93+%
DTXSID30278654NSC89064-Phenoxybutyric Acid Ethyl EsterNSC-8906AKOS017088625AS-63617SY054481CS-0179390
Database identifiers
- CAS
2364-59-2- PubChem CID
- 222539
- DTXSID
DTXSID30278654- Nikkaji
- J80.458D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 173 °C · 173 °C / 25mmHg
- Density
- 1.06 · 1.06
- refractive index
- 1.496 to · 1.4960 to 1.4990
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- HS Code
- 2918.99 · 2918.99.4700
Safety & regulation
Safety data
- hs_code
- 2918.99.4700
Chemistry & industry
Suppliers41 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
16 records
Compound notes
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