Basic information
- CAS
110-34-9- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(C)C- InChIKey
OJIBJRXMHVZPLV-UHFFFAOYSA-N- Molecular formula
- C20H40O2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.30283051
Overview
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Names & identifiers
- Preferred name
- Isobutyl Palmitate
- IUPAC
- 2-methylpropyl hexadecanoate
- English name
- PALMITIC ACID ISOBUTYL ESTER
- Molecular formula
- C20H40O2
- Molecular weight
- 312.53
Names & synonyms
Isobutyl palmitate2-Methylpropyl hexadecanoateisobutyl hexadecanoateHexadecanoic acid, 2-methylpropyl esterPalmitic acid, isobutyl esterUNII-M88W0H94JBM88W0H94JBDTXSID4059386KESSCO IBPEINECS 203-758-2AEC ISOBUTYL PALMITATEAI3-31576
Show more names
IsobutylPalmitate>ISOBUTYLHEXADECANOATEIsobutyl Palmitate, ≥ 97.0%2-MethylpropylhexadecanoateHexadecanoic acid isobutyl esterPALMITIC ACID ISOBUTYL ESTER 97+%Hexadecanoicacid,2-methylpropylester
Isobutyl palmitic acidRefChem:149096DTXCID6033160ISOBUTYL PALMITATE [INCI]203-758-2OJIBJRXMHVZPLV-UHFFFAOYSA-N110-34-9Palmitic Acid Isobutyl Ester
Database identifiers
- CAS
110-34-9- PubChem CID
- 66967
- DTXSID
DTXSID4059386- UNII
- M88W0H94JB
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Cosmetics
Cosmetic ingredients (Isobutyl Palmitate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Emollient
Flavoring AgentsEU Flavoring substances
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 19 °C · 19 °C
- Boiling point
- 207 °C · 207 °C / 15mmHg
- Density
- 0.86 · 0.86
- refractive index
- 1.44 · 1.4400-1.4420
- FLAVIS Number
- 9.589 · 09.589 | Isobutyl hexadecanoate
- Flash point
- 196 °C · 196 °C
- form
- clear liquid
- color
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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Hexadecanoic acid, 2-methylpropyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hexadecanoic acid, 2-methylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
- hs_code
- 2915.70.0150
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Isobutyl Palmitate
Use ClassificationCosmetics -> Skin conditioning; Emollient
General Manufacturing InformationHexadecanoic acid, 2-methylpropyl ester: ACTIVE
Applications
UsesIsobutyl Palmitate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers48 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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