Glyceryl 1,3-distearate

HCID 101269CAS 1323-83-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC
InChIKey
IZHVBANLECCAGF-UHFFFAOYSA-N
Molecular formula
C39H76O5
Average molar mass
625 g/mol
Monoisotopic mass
624.56927553

Overview

glyceryl 1,3-distearate has been reported in Streptomyces and Sciadopitys verticillata with data available.

Names & identifiers

Preferred name
Glyceryl 1,3-distearate
IUPAC
(2-hydroxy-3-octadecanoyloxypropyl) octadecanoate
English name
1,3-DISTEARIN
Molecular formula
C39H76O5
Molecular weight
625.02

Names & synonyms

Glyceryl 1,3-distearate504-40-51,3-Distearin1,3-Distearoylglycerol1,3-DioctadecanoylglycerolGlycerol 1,3-Distearate(2-hydroxy-3-octadecanoyloxypropyl) octadecanoateOctadecanoic acid, 2-hydroxy-1,3-propanediyl esterUNII-733QK35BCIEINECS 207-992-6NSC-404229DTXSID60892302
Show more names
1,3-glyceryl stearateNSC 4042291,3-distearin(c18:0)DISTEARIN 1-3 ISOMER1,3-DISTEAROYL-GLYCEROL1,3-Distearate-Glycerol
OCTADECANOIC ACID, 1,1'-(2-HYDROXY-1,3-PROPANEDIYL) ESTER1,3-distearoylglyceridesRefChem:143791DTXCID2030221207-992-6IZHVBANLECCAGF-UHFFFAOYSA-N1,3-DistearoylglycerinGlycerin 1,3-distearate

Database identifiers

CAS
1323-83-7、504-40-5
PubChem CID
101269
DTXSID
DTXSID60892302
ChEMBL
CHEMBL3989749
UNII
733QK35BCI
EC Number
207-992-6
Nikkaji
J6.217K

Properties

Computed structural properties

XLogP
16.2
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
38
Heavy atoms
44

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point
78.5 · 78.5-79 °C(Solv: ethyl ether (60-29-7))
Boiling point
669.6 · 669.6±22.0 °C(Predicted)
Density
0.923 · 0.923±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
solubility
Chloroform (Slightly), Methanol (Slightly, Heated)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 3 items

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 · 2 items

Chemical: Octadecanoic acid, 2-hydroxy-1,3-propanediyl ester

Octadecanoic acid, 2-hydroxy-1,3-propanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Octadecanoic acid, 2-hydroxy-1,3-propanediyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
1
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular

Applications

UsesGlyceryl derivative.

Upstream & downstream products

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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