Basic information
- CAS
6284-43-1- Standard SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)OCC(O)CO- InChIKey
RVNAQNUKCZKJCP-UHFFFAOYSA-N- Molecular formula
- C21H42O5
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.30322444
Overview
2,3-Dihydroxypropyl 12-hydroxyoctadecanoate has been reported in Schisandra chinensis with data available.
Names & identifiers
- Preferred name
- Glyceryl 1-hydroxystearate
- IUPAC
- 2,3-dihydroxypropyl 12-hydroxyoctadecanoate
- English name
- 2,3-dihydroxypropyl 12-hydroxyoctadecanoate
- Molecular formula
- C21H42O5
- Molecular weight
- 374.55518
Names & synonyms
2,3-Dihydroxypropyl 12-hydroxyoctadecanoate6284-43-1X84XWP4TOCOctadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl esterNSC 7399NSC-7399EINECS 228-507-4Glycerol (1-(12-hydroxystearate))DTXSID00884246GLYCERYL 1-HYDROXYSTEARATEEC 228-507-4RefChem:663495
Show more names
Glycerol 1-(12-hydroxystearate)12-Hydroxystearic acid monoglyceride12-Hydroxyoctadecanoic acid 2,3-dihydroxypropyl ester
DTXCID401023700UNII-X84XWP4TOCSCHEMBL375986NSC7399RVNAQNUKCZKJCP-UHFFFAOYSA-Nglyceryl mono-12-hydroxyoctadecanoateAKOS015914511NS00007795
Database identifiers
- CAS
6284-43-1- PubChem CID
- 95408
- DTXSID
DTXSID00884246- UNII
- X84XWP4TOC
- EC Number
- 228-507-4
- Nikkaji
- J206.845A
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 20
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 84 XWP4TOC · X84XWP4TOC
- EPA Substance Registry System
- 12 · Octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester (6284-43-1)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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% (106 of 106) of all reports.
Not Classified
Aggregated GHS information provided per 106 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester
REACH registered substance: 2,3-dihydroxypropyl 12-hydroxyoctadecanoate (EC: 228-507-4)
Other Safety InformationIMAP assessments - Octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester: ACTIVE
Suppliers2 total
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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