Basic information
- CAS
84379-51-1- Standard SMILES
OCC(O)C(CO)OCc1ccccc1- InChIKey
YYGZBCNOJHZTGA-UHFFFAOYSA-N- Molecular formula
- C11H16O4
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.10485899
Overview
See also: (2S,3S)-(+)-2-Benzyloxy-1,3,4-butanetriol (annotation moved to).
Names & identifiers
- Preferred name
- 3-Phenylmethoxybutane-1,2,4-triol
- IUPAC
- 3-phenylmethoxybutane-1,2,4-triol
- English name
- (+)-2-O-BENZYL-L-THREITOL
- Molecular formula
- C11H16O4
- Molecular weight
- 212.24
Names & synonyms
3-phenylmethoxybutane-1,2,4-triol84379-51-1(2S,3S)-3-(Benzyloxy)butane-1,2,4-triolButane-1,2,4-triol, 3-benzyloxy-3-(BENZYLOXY)BUTANE-1,2,4-TRIOL1,2,4-Butanetriol,3-(phenylmethoxy)-, (2S,3S)-SCHEMBL195147862-benzyloxy 1,3,4-butanetriolDTXSID40340134YYGZBCNOJHZTGA-UHFFFAOYSA-N3-(Benzyloxy)-1,2,4-butanetriol #1,2,3,4-Butanetetrol, 2-O-benzyl-
Show more names
(+)-2-O-BENZYL-L-THREITOL2-benzyloxy-1,3,4-butanetriol(2S,3S)-3-BENZYLOXY-BUTANE-1,2,4-TRIOL(2S,3S)-(+)-2-BENZYLOXY-1,3,4-BUTANETRIOL1,2,4-Butanetriol, 3-(phenylmethoxy)-, (2S,3S)-
Database identifiers
- CAS
84379-51-1- PubChem CID
- 561860
- DTXSID
DTXSID40340134
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 75 · 75-77 °C
- Boiling point
- 424.1 · 424.1±40.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.47 · 13.47±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
- F
- 3 · 3-9
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-9
- wgk
- 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
上海安化生物技术有限公司021-61263375 18168859245
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
Related reactions
1 records
Compound notes
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