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17597-95-4

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Basic Information
CAS No.: 17597-95-4
Name: 1-(2,2-dimethoxyethoxy)hexane
Molecular Structure:
Molecular Structure of 17597-95-4 (1-(2,2-dimethoxyethoxy)hexane)
Formula: C10H22 O3
Molecular Weight: 190.32
Synonyms: Acetaldehyde,(hexyloxy)-, dimethyl acetal (8CI); Ethane, 2-(hexyloxy)-1,1-dimethoxy- (8CI);2-Hexoxyacetaldehyde dimethyl acetal; Hexoxy dimethyl acetal
Density: 0.893g/cm3
Boiling Point: 223.2°Cat760mmHg
Flash Point: 78.6°C
Safety: A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 27.69000
LogP: 2.20220
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Chemistry

Product Name: Hexoxyacetaldehyde dimethylacetal (CAS NO.17597-95-4)


Molecular Formula: C10H22O3
Molecular Weight: 190.27988g/mol
Mol File: 17597-95-4.mol
EINECS: 241-563-4
Boiling point: 223.2 °C at 760 mmHg
Flash Point: 78.6 °C
Density: 0.893 g/cm3
Surface Tension: 27.1 dyne/cm
Enthalpy of Vaporization: 44.1 kJ/mol 
Vapour Pressure: 0.145 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Hexoxyacetaldehyde dimethylacetal (CAS NO.17597-95-4):
  IUPAC Name: 1-(2,2-dimethoxyethoxy)hexane
  Canonical SMILES: CCCCCCOCC(OC)OC
  InChI: InChI=1S/C10H22O3/c1-4-5-6-7-8-13-9-10(11-2)12-3/h10H,4-9H2,1-3H3 
  InChIKey: LIVMHHPZBYEKCU-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 811, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 811, 1979.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Hexoxyacetaldehyde dimethylacetal , its CAS NO. is 17597-95-4, the synonyms are 2-Hexoxyacetaldehyde dimethylacetal ; AI3-28733 ; EINECS 241-563-4 ; Hexoxy dimethyl acetal ; 1-(2,2-Dimethoxyethoxy)hexane ; Acetaldehyde, (hexyloxy)-, dimethyl acetal ; Hexane, 1-(2,2-dimethoxyethoxy)- .