Basic information
- CAS
818-04-2- Standard SMILES
CC(C)CCOC(=O)CCC(=O)OCCC(C)C- InChIKey
VITLQDOBPXWZLH-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Overview
See also: Di-isopentyl succinate (annotation moved to).
Names & identifiers
- Preferred name
- Diisopentyl succinate
- IUPAC
- bis(3-methylbutyl) butanedioate
- English name
- Diisopentyl succinate
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35
Names & synonyms
Diisopentyl succinatediisoamyl succinateButanedioic acid, bis(3-methylbutyl) esterEINECS 212-448-6AI3-01975DTXSID80231370RefChem:587846DTXCID80153861212-448-6818-04-2bis(3-methylbutyl) butanedioate32GYA74XJK
Show more names
succinic acid diisoamyl esterSuccinic acid diisopentyl esterButanedioic acid, 1,4-bis(3-methylbutyl) ester
MFCD00435684diisopentyl butanedioateUNII-32GYA74XJKSCHEMBL333015Succinic acid, diisopentyl esterAKOS025295788Succinic acid, di(3-methylbutyl) esterbutanedioic acid bis-(3-methylbutyl) ester
Database identifiers
- CAS
818-04-2- PubChem CID
- 69956
- DTXSID
DTXSID80231370- UNII
- 32GYA74XJK
- EC Number
- 212-448-6
- Nikkaji
- J95.557D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 281.1 · 281.1±8.0 °C(Predicted)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- FLAVIS Number
- 9.345 · 09.345 | Di-isopentyl succinate
- LogP
- 4.023 · 4.023 (est)
- FDA UNII
- 32 GYA74XJK · 32GYA74XJK
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
REACH registered substance: Diisopentyl succinate (EC: 212-448-6)
Butanedioic acid, bis(3-methylbutyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers16 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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