2-Methyl-1,3-Propanediol

CAT: 0127-OR1030714-01Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1030714-01Size:500 mL

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CAS Number

2163-42-0

Synonyms

2-methylpropane-1,3-diol

Purity

98%

Smiles

CC(CO)CO

Chemical Information

Methylpropanediol

See also: Glycerin; methylpropanediol (component of).

CAS Number	2163-42-0
PubChem CID	75103
IUPAC Name	2-methylpropane-1,3-diol
Molecular Formula	C4H10O2
Molecular Weight	90.12
XLogP	-0.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	24

SMILES

CC(CO)CO

InChI

InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3

InChIKey

QWGRWMMWNDWRQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2163-42-0

CID: 75103

Formula: C4H10O2

MW: 90.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.12
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	90.068079557
Monoisotopic Mass	90.068079557
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	24.7
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

Catalog	Name
OR925815-01	2-Methyl-2-propyl-1,3-propanediol
OR1031400-01	2- (Hydroxymethyl) -2-[ (2-propyn-1-yloxy) methyl]-1,3-propanediol
OR28235-01	2-pentyl-1,3-propanediol
OR1037251-01	2-Chloro-1,3-propanediol
OR28238-01	2-butyl-1,3-propanediol
OR950750-01	3-Allyloxy-1,2-propanediol
PC409017	3-Fluoro-1,2-propanediol
OR920067-01	2-Benzyloxy-1,3-propanediol
OR1010706-01	3- (Isopropylamino) -1,2-Propanediol
OR1010975-01	3-Ethoxy-1,2-Propanediol

Catalog	Name
FM34459-01	2-Methyl-1,3-propanediol
sc-483026	2-[ (3-Methoxyphenyl) methyl]-1,3-propanediol
TSH-00013	2-Amino-2-methyl-1,3-propanediol
TRC-M320590-5G	2-Methyl-2-propyl-1,3-propanediol
sc-479506	2-Allyl-2-methyl-1,3-propanediol
sc-486828	2-Ethyl-2-methyl-1,3-propanediol
M23150-01	2-Methyl-2-nitro-1,3-propanediol
M18040-01	2-Methyl-2-ethyl-1,3-propanediol
MBS6041952-01	2-[(3-Methoxyphenyl)methyl]-1,3-propanediol