Basic information
- CAS
626-31-3- Standard SMILES
CCC(C)OC(=O)CCC(=O)OC(C)CC- InChIKey
PJZURRKQOJYGAU-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- Di-sec-butyl succinate
- IUPAC
- dibutan-2-yl butanedioate
- English name
- Butanedioic acid bis(1-methylpropyl) ester
- Molecular formula
- C12H22O4
- Molecular weight
- 230.3
Names & synonyms
Di-sec-butyl succinate626-31-3dibutan-2-yl butanedioateButanedioic acid bis(1-methylpropyl) esterButanedioic acid, bis(1-methylpropyl) esterSuccinic acid, di-sec-butyl esterMFCD28972105Succinic acid di-sec-butyl ester1,4-bis(butan-2-yl) butanedioatedi-s-butyl-succinateDi-sec-butylsuccinatedisec-butyl butanedioate
Show more names
butyldiacidi(1-methylpropyl)esterButanedioic acid, 1,4-bis(1-methylpropyl) ester
Di(sec-butyl) succinate #Di(butan-2-yl) butanedioateSCHEMBL645070DTXSID40871796AKOS028108593s10718AS-65307SY262867
Database identifiers
- CAS
626-31-3- PubChem CID
- 94181
- DTXSID
DTXSID40871796- Nikkaji
- J122.362C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 256 °C · 256°C (estimate)
- Density
- 0.9735 · 0.9735
- refractive index
- 1.4238 · 1.4238 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- CAS DataBase Reference
- 626 · 626-31-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers16 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]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
爱诗伦生物科技（上海）有限公司021-50676523 18019098996 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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