Propylene glycol dihexanoate
Basic information
- CAS
50343-36-7- Standard SMILES
CCCCCC(=O)OCC(C)OC(=O)CCCCC- InChIKey
RMZFJNNOMUICLE-UHFFFAOYSA-N- Molecular formula
- C15H28O4
- Average molar mass
- 272.38 g/mol
- Monoisotopic mass
- 272.19875937
Overview
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in this safety assessment in cosmetics when formulated to be non-irritating...Propylene Glycol Dicaproate...
Names & identifiers
- Preferred name
- Propylene glycol dihexanoate
- IUPAC
- 2-hexanoyloxypropyl hexanoate
- English name
- Propylene glycol dicaproate
- Molecular formula
- C15H28O4
- Molecular weight
- 272.38
Names & synonyms
Propylene glycol dihexanoate50343-36-7Sefsol 2201,2-Propylene glycol dicaproatePROPYLENE GLYCOL DICAPROATE1,2-Propanediol dihexanoateFEMA No. 4470NSC-409891UNII-L37F145LOTL37F145LOT(+-)-Propylene glycol dihexanoatePropylene glycol dihexanoate, (+-)-
Show more names
Dihexanoic acid propylene ester1,2-Propylene glycol dihexanoateDihexanoic acid 1,2-propanediyl ester
Hexanoic acid, 1-methyl-1,2-ethanediyl esterHexanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) esterRefChem:202755PROPYLENE GLYCOL DICAPROATE [INCI]2-hexanoyloxypropyl hexanoateNSC4098911,2-propanediol dicaproatePropane-1,2-diyl dihexanoate
Database identifiers
- CAS
50343-36-7- PubChem CID
- 349945
- DTXSID
DTXSID00866148- ChEMBL
CHEMBL2268845- UNII
- L37F145LOT
- Nikkaji
- J106.477K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Propylene Glycol Dicaproate) -> CIR (Cosmetic Ingredient Review)
Emollient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.943-0.948 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point335-337 °C
Refractive Index1.430-1.435
Physical DescriptionClear colourless liquid; Mild fruity to green aroma
Physicochemical properties
- FEMA
- 4470 · 4470 | PROPYLENEGLYCOL DIHEXANOATE
- Odor
- fruity green
- Odor Type
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in this safety assessment in cosmetics when formulated to be non-irritating...Propylene Glycol Dicaproate...
Safe for use in cosmetics, with qualifications
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Propylene Glycol Dicaproate
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Emollient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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