CAS 4799-67-1 3-(Benzyloxy)-1,2-propanediol (HCID 98072)

Overview

See also: 3-(Benzyloxy)propane-1,2-diol (annotation moved to).

Names & identifiers

Preferred name: 3-(Benzyloxy)-1,2-propanediol
IUPAC: 3-phenylmethoxypropane-1,2-diol
English name: 3-Benzyloxy-1,2-propanediol
Molecular formula: C10H14O3
Molecular weight: 182.22

Names & synonyms

3-(Benzyloxy)-1,2-propanediolRefChem:4942664799-67-11-Benzylglycerol3-Benzyloxy-1,2-propanediol1-O-Benzyl-rac-glycerolGlycerol, 1-benzyl-1,2-Propanediol, 3-(phenylmethoxy)-1-O-Benzylglycerol13071-59-53-phenylmethoxypropane-1,2-diolMFCD00016633

Show more names

3-(benzyloxy)propane-1,2-diolNSC 742411-benzylglycinetheroxy)propane-1,2-dioLGlycerol 1-benzyl ether3-benzyloxy-2-propanediol3-benzyloxypropan-1,2-diol

3-benzyloxy-propane-1,2-diol3-benzyloxypropane-1,2-diolDL-alpha-O-Benzylglycerol3-O-Benzyl-sn-glycerol(s)-3-benzyloxy-1,2-propanediol1-benzyloxy-2,3-propanediol3-O-Benzylglycerol1-o-benzyl-glycerol

Database identifiers

CAS: 4799-67-1
PubChem CID: 98072
ChEMBL: CHEMBL452389
Nikkaji: J50.752K

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 62.7 · 62.7-63.4 °C
Boiling point: 140 · 140-145°C
Density: 1.14 g/mL · 1.140 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.533
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 13.65 · 13.65±0.20(Predicted)
color: Off-White
BRN: 3199937 · 3199937
Stability: Stable. Hygroscopic. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey: LWCIBYRXSHRIAP-UHFFFAOYSA-N
SMILES: C(O)C(O)COCC1=CC=CC=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: Eyeshields, Gloves
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
RTECS: 3180000 · TY3180000
F: 3 · 3-9
HS Code: 2909498090 · 2909498090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

F: 3-9
PPE: Eyeshields, Gloves
wgk: 3
rtecs: TY3180000
hs_code: 2909498090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses(±)-3-Benzyloxy-1,2-propanediol was used in capillary electrophoretic enantioseparation of vicinol diols using different β-cyclodextrin derivatives and borate. It was used in the synthesis and immobilization of 2,3-di-O-phytanyl-sn-glycerol-1-tetraethylene glycol-(3-trichloropropyl-silane) ether lipid (DPTTC) and 2,3-di-O-phytanyl-sn-glycerol-1-tetraethylene glycol-(3-chloro-dimethylpropyl-silane) ether lipid(DPTDC).

General Description(±)-3-Benzyloxy-1,2-propanediol undergoes enantioseparation by ligand exchange micellar electrokinetic chromatography using borate anion as a central ion.