2,2-dioctylpropane-1,3-diol

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CAS Number

106868-09-1

Stability

Stable under normal temperatures and pressures.

Molecular Formula

C19H40O2

Molecular Weight

300.52

Product Name Synonym

1,3-Dihydroxy-2,2-di-n-octylpropane

Physical Properties

White to light yellow crystal powder

Safety Statements

S26

Density

0.891g/cm3

Flash Point

180.9oC

Melting Point

195.5 - 198.5 °C (ethanol)

Chemical Information

2,2-Di-n-octyl-1,3-propanediol

CAS Number	106868-09-1
PubChem CID	10891950
IUPAC Name	2,2-dioctylpropane-1,3-diol
Molecular Formula	C19H40O2
Molecular Weight	300.5
XLogP	7.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	182

SMILES

CCCCCCCCC(CCCCCCCC)(CO)CO

InChI

InChI=1S/C19H40O2/c1-3-5-7-9-11-13-15-19(17-20,18-21)16-14-12-10-8-6-4-2/h20-21H,3-18H2,1-2H3

InChIKey

NFPNQEAEXIXGNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106868-09-1

CID: 10891950

Formula: C19H40O2

MW: 300.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	300.5
XLogP3	7.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	300.302830514
Monoisotopic Mass	300.302830514
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	182
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
RG-D091302-01	2,2-Dimethylpropane-1,3-Diol
OR90264-01	2,2-Dibenzylpropane-1,3-diol
GTR19257403-01	2,2-dibutylpropane-1,3-diol
sc-283300A	2,2-Dimethoxypropane-1,3-diol
PC01484-01	2,2-Difluoropropane-1,3-diol
RAA34375-01	2,2,3-Trimethylbutane-1,3-diol
PC5355	2,2,3,3,3-Pentafluoropropane-1,1-diol
BDA73118-01	2-Cyclobutylpropane-1,3-diol
DAA79674-01	2-Phenylbenzene-1,3-diol
TN9466-01	3-Ethylbenzene-1,2-diol

2,2-dioctylpropane-1,3-diol

Chemical Information

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