HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

Glyceryl dioleate

HCID 33120
New noteNew reactionRequest quotes
Print preview
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2081110-78-1
Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC
InChIKey
DRAWQKGUORNASA-UHFFFAOYSA-N
Molecular formula
C39H72O5
Average molar mass
621 g/mol
Monoisotopic mass
620.53797539

Overview

The Expert Panel concluded that  ... Glyceryl Dioleate is safe as cosmetic ingredients in the practices of use and concentrations as described in this safety assessment provided that the content of 1,2-diesters is not high enough to induce epidermal hyperplasia.

Names & identifiers

Preferred name
Glyceryl dioleate
IUPAC
(2-hydroxy-3-octadec-9-enoyloxypropyl) octadec-9-enoate

Names & synonyms

Glyceryl dioleateDiolein Glycerol-1,2- and -1,3-dioleate9-Octadecenoic acid (9Z)-, diester with 1,2,3-propanetriolGlycerol-1,2-and-1,3-dioleate1,3-Di(cis-9-octadecenoyl)glycerol1,3-Di-([cis]-9-octadecenoyl)-rac-glycerol(2-hydroxy-3-octadec-9-enoyloxypropyl) octadec-9-enoateSCHEMBL3189381DRAWQKGUORNASA-UHFFFAOYSA-NGLYCERYL DIOLEATE TECHNICAL GRADEFD166679NS00013696
Show more names
2081110-78-1

Database identifiers

CAS
2081110-78-1
PubChem CID
33120

Properties

Computed structural properties

XLogP
14.3
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
36
Heavy atoms
44
Formal charge
0
Complexity
615

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (Glyceryl Dioleate) -> CIR (Cosmetic Ingredient Review)

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.

Toxicology

Toxicity Summary · 2 items

The Expert Panel concluded that  ... Glyceryl Dioleate is safe as cosmetic ingredients in the practices of use and concentrations as described in this safety assessment provided that the content of 1,2-diesters is not high enough to induce epidermal hyperplasia.

Safe for use in cosmetics, with qualifications

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Glyceryl Dioleate
Use ClassificationCosmetics -> Emollient

Related reactions

2 records
New reaction record
HRID 317848 reaction equation
HRID 317848As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1563819 reaction equation
HRID 1563819As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes