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Basic Information
CAS No.: 1708-39-0
Name: 2-PHENYL-1.3-DIOXOLANE-4-METHANOL
Molecular Structure:
Molecular Structure of 1708-39-0 (2-PHENYL-1.3-DIOXOLANE-4-METHANOL)
Formula: C10H12 O3
Molecular Weight: 180.203
Synonyms: 1,2-Benzylideneglycerol;4-(Hydroxymethyl)-2-phenyldioxolane; 4-Hydroxymethyl-2-phenyl-1,3-dioxolane;Benzylideneglycerol; NSC 78968
EINECS: 216-962-1
Density: 1.173g/cm3
Melting Point: 84 °C
Boiling Point: 310.7°Cat760mmHg
Flash Point: 153.3°C
Safety: Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by skin contact. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 38.69000
LogP: 1.09290
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Chemistry

Product Name: Benzal glyceryl acetal (CAS NO.1708-39-0)


Molecular Formula: C10H12O3
Molecular Weight: 180.20048g/mol
Mol File: 1708-39-0.mol
Einecs: 216-962-1
Boiling point: 310.7 °C at 760 mmHg
Flash Point: 153.3 °C
Density: 1.185 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.538(lit.)
Surface Tension: 47.8 dyne/cm
Enthalpy of Vaporization: 58.24 kJ/mol
Vapour Pressure: 0.000253 mmHg at 25°C
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Benzal glyceryl acetal (CAS NO.1708-39-0):
  IUPAC Name: (2-phenyl-1,3-dioxolan-4-yl)methanol
  Canonical SMILES: C1C(OC(O1)C2=CC=CC=C2)CO
  InChI: InChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2 
  InChIKey: AUDDNHGBAJNKEH-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1296mg/kg (1296mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 85, Pg. 474, 1951.
rabbit LD50 skin 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 699, 1976.
rat LD50 oral 3150mg/kg (3150mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 699, 1976.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by skin contact. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Benzal glyceryl acetal ,its CAS NO. is 1708-39-0,the synonyms is 1,3-Dioxolane-4-methanol, 2-phenyl- ; 1,2-Benzylideneglycerol ; 2-Phenyl-1,3-dioxolane-4-methanol ; 2-Phenyl-m-dioxan-5-ol ; 4-(Hydroxymethyl)-2-phenyldioxolane ; 5-19-02-00562 (Beilstein Handbook Reference) ; AI3-18077 ; BRN 0156802 ; Benzaldehyde, cyclic (hydroxymethyl)ethylene acetal ; Benzylidene glycerol ; EINECS 216-962-1 ; Glycerol, 1,2-O-benzylidene- ; NSC 78968 .