Basic information
- CAS
40654-49-7- Standard SMILES
CCCCCCCCCCCCOc1ccc(C(=O)OC)cc1- InChIKey
KIOSHBXNKOBBCM-UHFFFAOYSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Names & identifiers
- Preferred name
- Methyl 4-(dodecyloxy)benzoate
- IUPAC
- methyl 4-dodecoxybenzoate
- English name
- METHYL 4-N-DODECYLOXYBENZOATE
- Molecular formula
- C20H32O3
- Molecular weight
- 320.47
Names & synonyms
Methyl 4-(dodecyloxy)benzoate40654-49-7methyl 4-dodecoxybenzoateBenzoic acid, 4-(dodecyloxy)-, methyl esterMETHYL 4-DODECYLOXYBENZOATEMethyl p-(dodecyloxy)benzoateMethyl4-(dodecyloxy)benzoateSCHEMBL302793DTXSID60343809Methyl 4-(dodecyloxy)benzoate #SBB061392AKOS024334063
Show more names
RARECHEM AL BF 0564METHYL 4-N-DODECYLOXYBENZOATE4-(Dodecyloxy)benzoic acid methyl ester
Benzoic acid, p-(dodecyloxy)-, methyl esterST50548271
Database identifiers
- CAS
40654-49-7- PubChem CID
- 592397
- DTXSID
DTXSID60343809- EC Number
- 609-854-4
- Nikkaji
- J113.542B
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 53 · 53-55 °C
- Boiling point
- 420 · 420.0±18.0 °C(Predicted)
- Density
- 0.962 · 0.962±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [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
9 records
Compound notes
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