2-Phenyl-1,3-dioxolane

HCID 70293CAS 936-51-6

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(C2OCCO2)cc1
InChIKey: LYINTWKRUWVLBA-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: 2-Phenyl-1,3-dioxolane
IUPAC: 2-phenyl-1,3-dioxolane
English name: 2-PHENYL-1,3-DIOXOLANE
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

2-Phenyl-1,3-dioxolane936-51-61,3-Dioxolane, 2-phenyl-Benzaldehyde ethylene acetalEINECS 213-315-5DTXSID00239479NSC 97528RefChem:89027DTXCID70161970213-315-5InChI=1/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7HLYINTWKRUWVLBA-UHFFFAOYSA-N

Show more names

RARECHEM AL BP 0531LABOTEST-BB LT02097925

MFCD000305642-phenyl-[1,3]dioxolane1-(1,3-Dioxolane-2-yl)benzeneBenzaldehyde (ethane-1,2-diyl)acetal2-Phenyl-1,3-dioxolanSCHEMBL366283SCHEMBL533185SCHEMBL2076723

Database identifiers

CAS: 936-51-6
PubChem CID: 70293
DTXSID: DTXSID00239479
EC Number: 213-315-5
Nikkaji: J99.994F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 113

Physicochemical properties

Boiling point: 80 °C0.3 · 80 °C0.3 mm Hg(lit.)
Density: 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.526(lit.)
Flash point: 209 °F · 209 °F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P