Basic information
- CAS
16387-18-1- Standard SMILES
CCCCC(CC)COC(=O)C(C)(C)C- InChIKey
DGGIWFWLKMKNQZ-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- 2-Ethylhexyl pivalate
- IUPAC
- 2-ethylhexyl 2,2-dimethylpropanoate
- English name
- 2-ethylhexyl pivalate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34
Names & synonyms
2-Ethylhexyl pivalate2-ethylhexyl 2,2-dimethylpropanoatePropanoic acid, 2,2-dimethyl-, 2-ethylhexyl esterUNII-M55ILZ78FSM55ILZ78FSPivalic acid, 2-ethylhexyl esterEINECS 240-437-6J286.882B2,2-Dimethylpropanoic acid 2-ethylhexyl esterDTXSID709368822,2-Dimethylpropionic acid, 2-ethylhexyl esterRefChem:86991
Show more names
DTXCID201365475240-437-6DGGIWFWLKMKNQZ-UHFFFAOYSA-N16387-18-1Propanoic acid,2,2-dimethyl-, 2-ethylhexyl ester2-Ethylhexylpivalate2-Ethylhexyl pivalate #SCHEMBL3847081
Database identifiers
- CAS
16387-18-1- PubChem CID
- 85992
- DTXSID
DTXSID70936882- UNII
- M55ILZ78FS
- EC Number
- 240-437-6
- Nikkaji
- J286.882B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
CosmeticsEmollient
Physicochemical properties
- Boiling point
- 229.6 · 229.6±8.0 °C(Predicted)
- Density
- 0.867 · 0.867±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- LogP
- 4.96 · 4.960 (est)
- FDA UNII
- 55 ILZ78FS · M55ILZ78FS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Emollient
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
吉良化学21-62165282 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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