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14689-97-5

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Basic Information
CAS No.: 14689-97-5
Name: 2,4-di(but-3-en-1-yl)-6-ethoxy-1,3-dioxane
Molecular Structure:
Molecular Structure of 14689-97-5 (2,4-di(but-3-en-1-yl)-6-ethoxy-1,3-dioxane)
Formula: C6H12 Cl2 O2
Molecular Weight: 187.066
Synonyms: Acetaldehyde,bis(2-chloroethyl) acetal (6CI,7CI,8CI); 1,1-Bis(2-chloroethoxy)ethane;1,1'-[Ethylidenebis(oxy)]bis[2-chloroethane]; 2,2'-Dichlorodiethyl ethanal;Di(2-chloroethyl)acetal; NSC 38980
Density: 0.95g/cm3
Boiling Point: 299.8°C at 760 mmHg
Flash Point: 99.8°C
Safety: Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of Cl−.
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Chemistry

Product Name: Di(2-chloroethyl)acetal (CAS NO.14689-97-5)


Molecular Formula: C6H12Cl2O2
Molecular Weight: 187.08g/mol
Mol File: 14689-97-5.mol
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Di(2-chloroethyl)acetal (CAS NO.14689-97-5):
  IUPAC Name: 1,1-bis(2-chloroethoxy)ethane
  Canonical SMILES: CC(OCCCl)OCCCl
  InChI: InChI=1S/C6H12Cl2O2/c1-6(9-4-2-7)10-5-3-8/h6H,2-5H2,1H3 
  InChIKey: KHNOWHUSVXGGLG-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 200uL/kg (0.2mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 310mg/kg (310mg/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

 

Safety Profile

Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of Cl−.

Specification

 Di(2-chloroethyl)acetal ,its CAS NO. is 14689-97-5,the synonyms is ,1'-(Ethylidene)bis(oxy)bis(2-chloroethane) ; 1,1-Bis(2-chloroethoxy)ethane ; 2,2'-Dichlorodiethyl ethanol ; 4-01-00-03104 (Beilstein Handbook Reference) ; AI3-15730 ; BRN 1699150 ; Ethane, 1,1'-(ethylidene)bis(oxy)bis(2-chloro- ; NSC 38980 ; Acetaldehyde, bis(2-chloroethyl) acetal (6CI,7CI,8CI) ; Ethane, 1,1-bis(2-choroethoxy)- (9CI) .