Basic information
- CAS
7425-14-1- Standard SMILES
CCCCC(CC)COC(=O)C(CC)CCCC- InChIKey
OUCGJMIVSYHBEC-UHFFFAOYSA-N- Molecular formula
- C16H32O2
- Average molar mass
- 256.42 g/mol
- Monoisotopic mass
- 256.24023026
Overview
The Panel concluded that the alkyl ethylhexanoates, listed below, are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Ethylhexyl Ethylhexanoate...
Names & identifiers
- Preferred name
- 2-Ethylhexyl 2-ethylhexanoate
- IUPAC
- 2-ethylhexyl 2-ethylhexanoate
- English name
- 2-ethylhexyl 2-ethylhexanoate
- Molecular formula
- C16H32O2
- Molecular weight
- 256.42
Names & synonyms
2-Ethylhexyl 2-ethylhexanoate7425-14-12-Ethylhexyl-2-ethylhexanoateETHYLHEXYL ETHYLHEXANOATEEINECS 231-057-1BRN 1777190UNII-430RJA6715430RJA6715OCTYL OCTANOATE (RIFM)DTXSID90524784-02-00-01005 (Beilstein Handbook Reference)HEXANOIC ACID, 2-ETHYL, 2-ETHYLHEXYL ESTER
Show more names
DRAGOXAT EHDragoxate EH2-octyl octanoate2-ETHYHEXYL 2-ETHYLHEXANOATE2-Ethylhexyl-2-ethylhexanoat
RefChem:86968DTXCID0031051ETHYLHEXYL ETHYLHEXANOATE [INCI]OUCGJMIVSYHBEC-UHFFFAOYSA-NHEXANOIC ACID, 2-ETHYL-, 2-ETHYLHEXYL ESTER2-Ethylhexyl -2-ethylhexanoateHexanoic acid,2-ethyl-, 2-ethylhexyl ester2-Ethylhexanoic acid, 2-ethylhexyl ester
Database identifiers
- CAS
7425-14-1- PubChem CID
- 23906
- DTXSID
DTXSID9052478- UNII
- 430RJA6715
- EC Number
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Ethylhexyl Ethylhexanoate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -18.1 °C · -18.1°C (estimate)
- Boiling point
- 299.67 °C · 299.67°C (estimate)
- Density
- 0.8561 · 0.8561 (estimate)
- refractive index
- 1.4096 · 1.4096 (estimate)
- solubility
- Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Odor
- 100 % · at 100.00%. fruity
- Cosmetics Ingredients Functions
- FRAGRANCESKIN CONDITIONING - EMOLLIENT
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
Warning
H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Warning
H361 (99.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester: Human health tier II assessment
Hazard Classes and Categories
Repr. 2 (99.6%)
Reproductive toxicity - category 2
Repr. 2
Toxicology
Toxicity Summary
The Panel concluded that the alkyl ethylhexanoates, listed below, are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Ethylhexyl Ethylhexanoate...
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Ethylhexyl Ethylhexanoate
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesLubricating agent
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
Fabricated Metal Product Manufacturing
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester: ACTIVE
Applications
DescriptionEthylhexyl Ethylhexanoate is the ester of 2-ethylhexanol and 2-ethylhexanoic acid
Upstream & downstream products
Downstream products
Suppliers26 total
北京华美互利生物化工010-56205725 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
1 records
Compound notes
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