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1708-35-6

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Basic Information
CAS No.: 1708-35-6
Name: 1,3-Dioxolane-4-methanol, 2-hexyl-
Molecular Structure:
Molecular Structure of 1708-35-6 (1,3-Dioxolane-4-methanol, 2-hexyl-)
Formula: C10H20 O3
Molecular Weight: 188.267
Synonyms: Glycerylheptanaldehyde 1,3-cyclic acetal; Heptanal 1,2-glyceryl acetal; Heptanal,cyclic (hydroxymethyl)ethylene acetal
Density: 0.975g/cm3
Boiling Point: 271.9°C at 760 mmHg
Flash Point: 132.4°C
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes.
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Chemistry

Product Name: Heptanal, 1,2-glyceryl acetal (CAS NO.1708-35-6)


Molecular Formula: C10H20O3
Molecular Weight: 188.26g/mol
Mol File: 1708-35-6.mol
EINECS: 216-960-0
Boiling point: 271.9 °C at 760 mmHg
Flash Point: 132.4 °C
Density: 0.975 g/cm3
Surface Tension: 36.3 dyne/cm
Enthalpy of Vaporization: 59.24 kJ/mol
Vapour Pressure: 0.000813 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Heptanal, 1,2-glyceryl acetal (CAS NO.1708-35-6):
  IUPAC Name: (2-hexyl-1,3-dioxolan-4-yl)methanol
  Canonical SMILES: CCCCCCC1OCC(O1)CO
  InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3 
  InChIKey: TYRXGKKCQUIWGI-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 439mg/kg (439mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 85, Pg. 474, 1951.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes.

Specification

 Heptanal, 1,2-glyceryl acetal , its CAS NO. is 1708-35-6, the synonyms are 4-19-00-00680 (Beilstein Handbook Reference) ; BRN 0108185 ; EINECS 216-960-0 ; FEMA No. 2542 ; Heptanal glyceryl acetal (1,2 acetal) ; Heptanal, cyclic (hydroxymethyl)ethylene acetal ; 1,3-Dioxolane-4-methanol, 2-hexyl- ; 2-Hexyl-1,3-dioxolane-4-methanol .