3-Methoxy-1,2-propanediol

C₄H₁₀O₃CAS 36887-04-4106.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₃
Molar mass: 106.12 g/mol
Exact mass: 106.0630 Da
Density: 1.1197 g/mL (at 17 °C)
Boiling point: 220 °C
logP: -1.01Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

36887-04-4

SMILES

COCC(O)CO

InChIKey

PSJBSUHYCGQTHZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

1,2-Propanediol, 3-methoxy-
Glycerin-α-monomethyl ether
Glycerol 1-monomethyl ether
NSC 6752
3-Methoxy-1,2-dihydroxypropane
1-Methoxy-2,3-propanediol

Work with 3-Methoxy-1,2-propanediol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Methoxy-1,2-propanediol623-39-2

Similar compounds

1,3-Dimethoxy-2-propanol623-69-870 % similar Diglycerin59113-36-959 % similar Diglycerin627-82-759 % similar Polyglycerin-356090-54-157 % similar Decaglycerin9041-07-057 % similar 1,2-Butanediol26171-83-552 % similar (2R)-1,2-Butanediol40348-66-152 % similar 1,2-Butanediol584-03-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diethylene glycol111-46-6 Trimethyl orthoformate149-73-5 1,2,4-Butanetriol3068-00-6 2,2-Dimethoxyethanol30934-97-5 (-)-1,2,4-Butanetriol42890-76-6 2-(Hydroxymethyl)-1,3-propanediol4704-94-3 (2R)-1,2,4-Butanetriol70005-88-8

Elsewhere

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