chempirical

3-(Benzyloxy)-1,2-propanediol

C10H14O3CAS 13071-59-5182.22 g/mol

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HOHOO
AlcoholEther

Properties

Molecular formula
C10H14O3
Molar mass
182.22 g/mol
Exact mass
182.0943 Da
Density
1.13 g/mL (at 25 °C)
Melting point
62.7–63.4 °C
Boiling point
164–166 °C (at 2 Torr)
logP
0.56Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
13071-59-5
SMILES
OCC(O)COCc1ccccc1
InChIKey
LWCIBYRXSHRIAP-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

Weigh it out

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

Names and synonyms

12 names
  • 1,2-Propanediol, 3-(phenylmethoxy)-
  • 1,2-Propanediol, 3-(benzyloxy)-
  • 3-(Phenylmethoxy)-1,2-propanediol
  • 1-O-Benzylglycerol
  • Glycerol α-monobenzyl ether
  • (RS)-3-(Benzyloxy)-1,2-propanediol
  • (±)-1-O-Benzylglycerol
  • DL-α-O-Benzylglycerol
  • Glycerol 1-benzyl ether
  • Glycerin 1-monobenzyl ether
  • NSC 74241
  • (±)-3-(Benzyloxy)-1,2-propanediol

Work with 3-(Benzyloxy)-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 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-(Benzyloxy)propane-1,2-diol17325-85-8Defined stereoisomer 3-(Benzyloxy)-1,2-propanediol4799-67-1

Similar compounds

1,3-Bis(phenylmethoxy)-2-propanol6972-79-879 % similar (-)-1,4-Di-O-benzyl-L-threitol17401-06-861 % similar (+)-1,4-Di-O-benzyl-D-threitol91604-41-061 % similar 3-Phenoxy-1,2-propanediol538-43-258 % similar Diglycerin59113-36-954 % similar Diglycerin627-82-754 % similar Polyglycerin-356090-54-152 % similar Decaglycerin9041-07-052 % similar

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

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 2-Acetyldimedone1755-15-3 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7 Furfuryl pentanoate36701-01-6

Elsewhere

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