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Basic information
- CAS
26657-95-4- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC- InChIKey
GFAZGHREJPXDMH-UHFFFAOYSA-N- Molecular formula
- C35H68O5
- Average molar mass
- 568.9 g/mol
- Monoisotopic mass
- 568.50667527
Names & identifiers
- Preferred name
- 1,3-Dipalmitin
- IUPAC
- (3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate
- English name
- 1,3-DIPALMITIN
- Molecular formula
- C35H68O5
- Molecular weight
- 568.91
Names & synonyms
1,3-Dipalmitin502-52-3Glyceryl 1,3-dipalmitate(3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate52PAE2F168RefChem:935002207-942-31,3-DipalmitoylglycerolGlycerol 1,3-dipalmitate1,3-Dipalmitoyl-glycerol2-Hydroxypropane-1,3-diyl dipalmitate1,3-Di-(hexadecanoyl)-glycerol
Show more names
1,3-Dipalmitoyl-rac-glycerolC16:0a,g-DipalMitinDIPALMITIN 1-3 ISOMER1,3-dipalmitin approx 99%
Glyceryl dipalmitate1,3-Dihexadecanoylglycerolalpha,gamma-dipalmitin2-hydroxypropane-1,3-diyl dihexadecanoateGlycerol dipalmitate3-(hexadecanoyloxy)-2-hydroxypropyl hexadecanoateHexadecanoic acid, 2-hydroxy-1,3-propanediyl esterPalmitin, 1,3-di-
Database identifiers
- CAS
26657-95-4、502-52-3- PubChem CID
- 68149
- DTXSID
DTXSID40964531- ChEMBL
CHEMBL2074860- ChEBI
CHEBI:77619- UNII
- 52PAE2F168
Properties
Computed structural propertiesFilling in
- XLogP
- 14
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 34
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 490
Experimental & physicochemical properties
Melting Point73 - 74 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 72 · 72-74 °C
- Boiling point
- 628.6 · 628.6±22.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 12.63 · 12.63±0.20(Predicted)
- color
- White
- biological source
- synthetic (organic)
- BRN
- 1809772 · 1809772
- InChI
- 1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
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 10% (2 of 20) of reports.
H411 (90%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 20 reports by companies.；There is 1 notification provided by 18 of 20 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Hazard information
Regulatory Information
Chemical: Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester
Hexadecanoic acid, diester with 1,2,3-propanetriol: 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 - Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester: Human health tier I assessment
Hazard Classes and Categories
Aquatic Chronic 2 (90%)
Not Classified
Toxicology
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Uses & manufacturing
UsesCIR ingredient: Glyceryl Dipalmitate
Use ClassificationCosmetics -> Emulsifying; Emollient
Applications
UsesA glycidol fatty acid esters in edible oils. An acyl acceptor for the unspecific bifunctional wax ester synthase/acyl-CoA:Diacylglycerol acyltransferase.
Suppliers39 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
浙江珲达生物科技有限公司
Related reactions
2 records
Compound notes
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