Basic information
- CAS
3089-55-2- Standard SMILES
CCCCCCCCOC(=O)CCCCC(=O)OCc1ccccc1- InChIKey
DECACTMEFWAFRE-UHFFFAOYSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- 1-Octyl 6-(phenylmethyl) hexanedioate
- IUPAC
- 6-O-benzyl 1-O-octyl hexanedioate
- English name
- benzyl octyl adipate
- Molecular formula
- C21H32O4
- Molecular weight
- 348.48
Names & synonyms
Benzyl octyl adipate3089-55-2Hexanedioic acid, octyl phenylmethyl esterMR5CLK3Y44ADIMOLL BODTXSID20184896RefChem:1056144DTXCID601073871-Octyl 6-(phenylmethyl) hexanedioate221-431-2Hexanedioic acid, 1-octyl 6-(phenylmethyl) ester6-O-benzyl 1-O-octyl hexanedioate
Show more names
BENZYL-N-OCTYLADIPATEbenzyl octyl adipate ISO 9001：2015 REACHAdipic acid 1-octyl 6-phenylmethyl ester
benzyloctyladipatbenzyloctyladipateUNII-MR5CLK3Y44C21H32O4EINECS 221-431-2MFCD00048940O6-benzyl O1-octyl hexanedioateADIMOLL
Database identifiers
- CAS
3089-55-2- PubChem CID
- 76534
- DTXSID
DTXSID20184896- UNII
- MR5CLK3Y44
- EC Number
- 221-431-2
- Nikkaji
- J217.264J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 434.2 · 434.2±20.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- LogP
- 6.238 · 6.238 (est)
- FDA UNII
- 5 CLK3Y44 · MR5CLK3Y44
Chemistry & industry
Applications
UsesBenzyl Octyl Adipate, is used as a plasticizer. It can also be used for the synthesis of orally effective acid prodrugs of the β-Lactamase inhibitor Sulbactam (S699185).
Suppliers31 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
越林试剂021-62960152 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
爱诗伦生物科技（上海）有限公司021-50676523 18019098996 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河南赢创生物科技有限公司16650708709 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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