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Name |
Benzal glyceryl acetal |
EINECS | 216-962-1 |
CAS No. | 1708-39-0 | Density | 1.173g/cm3 |
PSA | 38.69000 | LogP | 1.09290 |
Solubility | N/A | Melting Point |
84 °C |
Formula | C10H12 O3 | Boiling Point | 310.7°Cat760mmHg |
Molecular Weight | 180.203 | Flash Point | 153.3°C |
Transport Information | N/A | Appearance | N/A |
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. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Benzylideneglycerol;4-(Hydroxymethyl)-2-phenyldioxolane; 4-Hydroxymethyl-2-phenyl-1,3-dioxolane;Benzylideneglycerol; NSC 78968 |
Article Data | 45 |
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
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. |
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.
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 .