Basic information
- CAS
16397-75-4- Standard SMILES
CCCCCC(=O)OCC(CC)CCCC- InChIKey
QRNFTMKPBPCPJO-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethylhexyl ester
- IUPAC
- 2-ethylhexyl hexanoate
- English name
- 2-ethylhexyl hexanoate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
2-Ethylhexyl hexanoateHexanoic acid, 2-ethylhexyl esterEINECS 240-447-0DTXSID20884884RefChem:146210DTXCID301024305240-447-0QRNFTMKPBPCPJO-UHFFFAOYSA-N16397-75-42-Ethylhexyl hexanoate #SCHEMBL247560AS-76105
Show more names
NS00052780D92908F843901
Database identifiers
- CAS
16397-75-4- PubChem CID
- 85994
- DTXSID
DTXSID20884884- EC Number
- 240-447-0
- Nikkaji
- J286.886E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 265.4 · 265.4±8.0 °C(Predicted)
- Density
- 0.866 · 0.866±0.06 g/cm3(Predicted)
- LogP
- 5.724 · 5.724 (est)
- EPA Substance Registry System
- 2 · Hexanoic acid, 2-ethylhexyl ester (16397-75-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
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% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
REACH registered substance: 2-ethylhexyl hexanoate (EC: 240-447-0)
Hexanoic acid, 2-ethylhexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-ethylhexyl ester: ACTIVE
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
吉良化学21-62165282 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [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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