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2465-32-9

2465-32-9 structural image
Product Name: 1,3-DIOLEIN
Formula: C39H72O5
Synonyms: 1,3-Di(cis-9-octadecenoyl)glycerol;ASTM D6584 1,3-Diolein Solution;Biodiesel impurity
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H332:Acute toxicity,inhalation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 621.0 g/mol
XLogP3 14.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 36
Exact Mass 620.53797539 g/mol
Monoisotopic Mass 620.53797539 g/mol
Topological Polar Surface Area 72.8 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 615
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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 is functionally related to an oleic acid.