Basic information
- CAS
58958-60-4- Standard SMILES
CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C- InChIKey
JSOVGYMVTPPEND-UHFFFAOYSA-N- Molecular formula
- C23H46O2
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.34978071
Names & identifiers
- Preferred name
- Isostearyl Neopentanoate
- IUPAC
- 16-methylheptadecyl 2,2-dimethylpropanoate
- English name
- isooctadecyl pivalate
- Molecular formula
- C23H46O2
- Molecular weight
- 354.61014
Names & synonyms
ISOSTEARYL NEOPENTANOATEIsooctadecyl pivalate58958-60-4Cyclochem INEOIsostearyl pivalateCeraphyl 375Schercemol 852,2-Dimethylpropanoic acid, isooctadecyl esterEINECS 261-521-92,2-Dimethylpropanoic acid isooctadecyl esterCRODAMOL ISNPPropanoic acid, 2,2-dimethyl-, isooctadecyl ester
Show more names
JEECHEM ISNP411THY156QSCHERCEMOL 185BERNEL ESTER 185DERMOL 185DUB VCI 18SCHERCEMOL 185 ESTERISOSTEARYL TRIMETHYLACETATE
Database identifiers
- CAS
58958-60-4、85006-19-5- PubChem CID
- 42891
- DTXSID
DTXSID10892317- UNII
- 411THY156Q
- EC Number
- 261-521-9、285-048-2
- Nikkaji
- J309.585A
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Isostearyl Neopentanoate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Emollient; Binding
Physicochemical properties
- Melting point
- 7.7 °C · 7.7°C (estimate)
- Boiling point
- 387.8 °C · 387.8°C (rough estimate)
- Density
- 0.8784 · 0.8784 (rough estimate)
- refractive index
- 1.4384 · 1.4384 (estimate)
- Viscosity
- 12.9 mm2/s · 12.9mm2/s
- Water Solubility
- 11.7 μg/L · 11.7μg/L at 19℃
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGBINDING
- Cosmetic Ingredient Review (CIR)
- isooctadecyl pivalate (58958-60-4)
- LogP
- 10.055 · 10.055 (est)
- EWG's Food Scores
- 1 · 1
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% (145 of 145) of all reports.
Not Classified
Aggregated GHS information provided per 145 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Propanoic acid, 2,2-dimethyl-, isooctadecyl ester
REACH registered substance: Isooctadecyl pivalate (EC: 261-521-9)
Propanoic acid, 2,2-dimethyl-, isooctadecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Isostearyl Neopentanoate
Household ProductsInformation on 6 consumer products that contain Isostearyl neopentanoate in the following categories is provided:
Use ClassificationCosmetics -> Skin conditioning; Emollient; Binding
General Manufacturing InformationPropanoic acid, 2,2-dimethyl-, isooctadecyl ester: ACTIVE
Applications
Usesisostearyl neopentanoate is an emollient, binder, and skinconditioning agent with a moisturizing and softening effect. It has minimal allergenicity potential.
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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