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

HCID 74362CAS 1319-88-6
Substructure searchFind similar structures

Basic information

Standard SMILES
OC1COC(c2ccccc2)OC1
InChIKey
BWKDAAFSXYPQOS-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Overview

Benzaldehyde glyceryl acetal is a member of dioxanes.

Names & identifiers

Preferred name
1,3-Dioxan-5-ol, 2-phenyl-
IUPAC
2-phenyl-1,3-dioxan-5-ol
English name
2α-Phenyl-1,3-dioxan-5β-ol
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

2-Phenyl-1,3-dioxan-5-ol1708-40-31,3-Dioxan-5-ol, 2-phenyl-EINECS 216-963-7DTXSID3061899UNII-8B20N807G3NSC 97343RefChem:72764DTXCID9035464BWKDAAFSXYPQOS-UHFFFAOYSA-Ncis-2-Phenyl-1,3-dioxan-5-ol4141-19-9
Show more names
1,3-Dioxan-5-ol, 2-phenyl-, trans-5-Hydroxy-2-phenyl-1,3-dioxane, trans-
cis-1,3-O-Benzylideneglycerolcis-5-Hydroxy-2-phenyl-1,3-dioxane1,3-O-Benzylideneglycerol1,3-Dioxan-5-ol, 2-phenyl-, cis-(2s,5s)-2-phenyl-1,3-dioxan-5-ol1,3-benzylideneglycerol4141-20-2trans-2-Phenyl-1,3-dioxan-5-ol

Database identifiers

CAS
1319-88-6、1708-40-3、4141-19-9、4141-20-2
PubChem CID
74362
DTXSID
DTXSID3061899
ChEBI
CHEBI:173858
UNII
U197W5BT6M、V226TA551J
EC Number
216-963-7、803-904-0
Nikkaji
J203.094B、J80.760E、J80.761C

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Experimental & physicochemical properties

Flavoring AgentsEU Flavoring substances
Boiling Point185.00 °C. @ 20.00 mm Hg

Physicochemical properties

Melting point
62 · 62-64 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
Boiling point
333.6 · 333.6±37.0 °C(Predicted)
Density
1.203 · 1.203±0.06 g/cm3(Predicted)
pka
13.55 · 13.55±0.40(Predicted)
FDA UNII
197 W5BT6M · U197W5BT6M

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

General Manufacturing Information1,3-Dioxan-5-ol, 2-phenyl-: INACTIVE

Suppliers50 total

宁波振岳医药科技有限公司19817745290 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
天津合信成化工科技有限公司13752273685 · [email protected]

Additional notes

DefinitionChEBI: Benzaldehyde glyceryl acetal is a member of dioxanes.

Related reactions

46 records
New reaction record

Linked notes

Loading…