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1,3-Diolein

1,3-Diolein structure

CAS No:
2465-32-9
Formula:
C39H72O5
Chemical Name:
1,3-Diolein
Synonyms:
9-Octadecenoic acid (9Z)-,1,1′-(2-hydroxy-1,3-propanediyl) ester;Olein,1,3-di-;9-Octadecenoic acid (Z)-,2-hydroxy-1,3-propanediyl ester;9-Octadecenoic acid (9Z)-,2-hydroxy-1,3-propanediyl ester;1,3-Diolein;(Z,Z)-1,3-Dioctadecenoyl glycerol;Glycerol 1,3-dioleate;1,3-Dioleoylglycerol;sn-1,3-Dioleoylglycerol;1,3-Glyceryl dioleate;117933-44-5;118014-31-6;1119449-13-6;1421841-25-9
Categories:
Biochemical Engineering > Lipids

Description

ChEBI: A 1,3-diglyceride with both acyl groups specified as oleoyl.

Liquid; OtherSolid|Solid

1,3-dioleoylglycerol is a 1,3-diglyceride with both acyl groups specified as oleoyl. It is a 1,3-diglyceride, a dioleoylglycerol and a diacylglycerol (18:1/0:0/18:1). It derives from an oleic acid.

1,3-Diolein Basic Attributes

Molecular Weight：

620.98600

Exact Mass：

620.99

EC Number：

219-569-3

UNII：

ERF7S0XX7K

DSSTox ID：

DTXSID9047671

Characteristics

PSA：

72.83000

XLogP3：

11.50870

Appearance：

Solid

Density：

0.9128 g/cm³ @ Temp: 35 °C

Melting Point：

21.5-22 °C

Boiling Point：

678.3ºC at 760mmHg

Flash Point：

189.2ºC

Refractive Index：

1.477

Storage Conditions：

-20ºC

Vapor Pressure：

2.58E-21mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Drug Information

MeSH Entry Terms：

1,3-di-(cis-9-octadecenoyl)glycerol

1,3-Diolein Use and Manufacturing

Uses

Lubricants and lubricant additives

Fuels and related products

Production

100,000 - 500,000 lb

Manufacturing Info：

Petroleum lubricating oil and grease manufacturing|9-Octadecenoic acid (9Z)-, diester with 1,2,3-propanetriol: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Emollients|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Cosmetics -> Emollient

Computed Properties

Molecular Weight:621.0
XLogP3:14.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:36
Exact Mass:620.53797539
Monoisotopic Mass:620.53797539
Topological Polar Surface Area:72.8
Heavy Atom Count:44
Complexity:615
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Diolein

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1,3-Diolein

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