Basic information
- CAS
50822-54-3- Standard SMILES
CCCCCCOc1ccc(C(=O)OC)cc1- InChIKey
IVYQLXCACCEQHM-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Methyl 4-hexyloxybenzoate
- IUPAC
- methyl 4-hexoxybenzoate
- English name
- Methyl 4-hexyloxybenzoate
- Molecular formula
- C14H20O3
- Molecular weight
- 236.31
Names & synonyms
methyl 4-(hexyloxy)benzoateMETHYL 4-HEXYLOXYBENZOATE50822-54-3Methyl 4-n-hexyloxybenzoateSCHEMBL3051371DTXSID80393806IVYQLXCACCEQHM-UHFFFAOYSA-NSTL065416AKOS000499095DB-114742ST45046652methyl 4-hexoxybenzoate
Show more names
Benzoic acid, 4-(hexyloxy)-, methyl ester
Database identifiers
- CAS
50822-54-3- PubChem CID
- 3576592
- DTXSID
DTXSID80393806- EC Number
- 610-577-6
- Nikkaji
- J3.348.325B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 208
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Related reactions
5 records
Compound notes
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