1,3-Dioctanoyl glycerol

HCID 150911

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Basic information

CAS: 1429-66-9
Standard SMILES: CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC
InChIKey: DMBAVJVECSKEPF-UHFFFAOYSA-N
Molecular formula: C19H36O5
Average molar mass: 344.5 g/mol
Monoisotopic mass: 344.25627425

Overview

1,3-dioctanoylglycerol is a 1,3-diglyceride in which both acyl groups are specified as octanoyl. It has a role as a Brassica napus metabolite and an excipient. It is functionally related to an octanoic acid.

Names & identifiers

Preferred name: 1,3-Dioctanoyl glycerol
IUPAC: (2-hydroxy-3-octanoyloxypropyl) octanoate
English name: 1,3-DIOCTANOYLGLYCEROL (C8:0)
Molecular formula: C19H36O5
Molecular weight: 344.49

Names & synonyms

1429-66-91,3-Dioctanoyl glycerol1,3-dicaprylin1,3-Dicapryloylglycerol1,3-Dogl1,3-DcgDTXSID40892062RefChem:414716DTXCID90222331,3-Dioctanoin1,3-DioctanoylglycerolGlyceryl 1,3-dicaprylate

Show more names

Glycerol 1,3-dioctanoateGlycerol 1,3-bisoctanoate1,3-Dioctanoyl-rac-glycerol1-O,3-O-Dioctanoyl-L-glycerol1,3-DIOCTANOYLGLYCEROL (C8:0)

2-hydroxypropane-1,3-diyl dioctanoate(2-hydroxy-3-octanoyloxypropyl) octanoateOctanoic acid, 2-hydroxy-1,3-propanediyl esterDG(8:0/0:0/8:0)Octanoin, 1,3-di-Glycerol 1,3-dicaprylateNEW0U7C3IVorb2283188

Database identifiers

CAS: 1429-66-9、36354-80-0
PubChem CID: 150911
DTXSID: DTXSID40892062
ChEBI: CHEBI:136814
UNII: NEW0U7C3IV
Nikkaji: J118.319B

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 18
Heavy atoms: 24
Formal charge: 0
Complexity: 287

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point: 4 °C · <4 °C
Boiling point: 439.9 · 439.9±12.0 °C(Predicted)
Density: 0.992 · 0.992±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 12 · 12+-.0.20(Predicted)
color: Colourless Oil

Safety & regulation

Hazard information

Regulatory InformationOctanoic acid, 2-hydroxy-1,3-propanediyl ester: Does not have an individual approval but may be used under an appropriate group standard

Chemistry & industry

Applications

Description1,3-Dioctanoyl glycerol is a diacylglycerol that contains octanoic acid at the sn-1 and sn-3 positions.

Uses1,3-Dioctanoyl Glycerol is an cell permeable lipid used as probe for triacylglycerol metabolism study.

Upstream & downstream products

Downstream products

1-Octanoyl-rac-glycerol TRIOCTANOIN

Suppliers23 total

苏州启航生物科技有限公司18151111370 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

星基医药（上海）有限公司15705593425

Alfa Chemistry1-516-6625404 · [email protected]

Additional notes

DefinitionChEBI: 1,3-dioctanoylglycerol is a 1,3-diglyceride in which both acyl groups are specified as octanoyl. It has a role as a Brassica napus metabolite and an excipient. It is functionally related to an octanoic acid.