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2-Phenyl-1,3-dioxan-5-ol

2-Phenyl-1,3-dioxan-5-ol structure

CAS No:
1708-40-3
Formula:
C10H12O3
Chemical Name:
2-Phenyl-1,3-dioxan-5-ol
Synonyms:
1,3-Dioxan-5-ol,2-phenyl-;m-Dioxan-5-ol,2-phenyl-;2-Phenyl-1,3-dioxan-5-ol;Benzaldehyde cyclic 2-hydroxytrimethylene acetal;1,3-O-Benzylideneglycerol;1,3-Benzylideneglycerol;5-Hydroxy-2-phenyl-1,3-dioxane;NSC 97343;2-Phenyl-1,3-dioxinan-5-ol
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Benzaldehyde glyceryl acetal is a member of dioxanes.

2-Phenyl-1,3-dioxan-5-ol Basic Attributes

Molecular Weight：

180.20 g/mol

Exact Mass：

180.20

EC Number：

216-963-7

UNII：

U197W5BT6M|V226TA551J

NSC Number：

97343

DSSTox ID：

DTXSID3061899

Characteristics

PSA：

38.7 Å²

XLogP3：

1.333 (est)

Melting Point：

83.5 °C

Boiling Point：

165-170 °C @ Press: 10 Torr

Water Solubility：

1.025e+005 mg/L @ 25 °C (est)

2-Phenyl-1,3-dioxan-5-ol Use and Manufacturing

Manufacturing Info：

1,3-Dioxan-5-ol, 2-phenyl-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:180.20
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:38.7
Heavy Atom Count:13
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes