(S)-(Tetrahydro-2H-pyran-3-yl)methyl benzoate
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Basic information
- CAS
219701-50-5- Standard SMILES
O=C(OC[C@H]1CCCOC1)c1ccccc1- InChIKey
WENZOXDGFQZGOW-NSHDSACASA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
Names & identifiers
- Preferred name
- (S)-(Tetrahydro-2H-pyran-3-yl)methyl benzoate
- IUPAC
- [(3S)-oxan-3-yl]methyl benzoate
- English name
- 2h-pyran-3-methanol, tetrahydro-, 3-benzoate, (3s)-
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
219701-50-5(S)-(Tetrahydro-2H-pyran-3-yl)methyl benzoate[(3S)-oxan-3-yl]methyl benzoateMFCD290374402h-pyran-3-methanol, tetrahydro-, 3-benzoate, (3s)-[(3S)-tetrahydropyran-3-yl]methyl benzoateAKOS025396209AS-53030SY324391CS-0051898(S)-(Tetrahydro-2H-pyran-3-yl)methylbenzoateP15995
Show more names
(3S)-(Tetrahydro-2H-pyran-3-yl)methyl benzoate(3S)-2H-Tetrahydropyran-3-ylmethanol 3-benzoate
Database identifiers
- CAS
219701-50-5- Nikkaji
- J1.079.100F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 325.7 · 325.7±15.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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