U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H13ClO2
Molecular Weight 152.619
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chlorobutyraldehyde dimethyl acetal

SMILES

COC(CCCCl)OC

InChI

InChIKey=LTLKJYMNUSSFAH-UHFFFAOYSA-N
InChI=1S/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Chlorobutyraldehyde dimethyl acetal
Common Name English
4-Chloro-1,1-dimethoxybutane
Preferred Name English
Butane, 4-chloro-1,1-dimethoxy-
Systematic Name English
Code System Code Type Description
PUBCHEM
122536
Created by admin on Tue Apr 01 19:16:15 GMT 2025 , Edited by admin on Tue Apr 01 19:16:15 GMT 2025
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EPA CompTox
DTXSID30184004
Created by admin on Tue Apr 01 19:16:15 GMT 2025 , Edited by admin on Tue Apr 01 19:16:15 GMT 2025
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FDA UNII
32267PHE26
Created by admin on Tue Apr 01 19:16:15 GMT 2025 , Edited by admin on Tue Apr 01 19:16:15 GMT 2025
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CAS
29882-07-3
Created by admin on Tue Apr 01 19:16:15 GMT 2025 , Edited by admin on Tue Apr 01 19:16:15 GMT 2025
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ECHA (EC/EINECS)
249-924-8
Created by admin on Tue Apr 01 19:16:15 GMT 2025 , Edited by admin on Tue Apr 01 19:16:15 GMT 2025
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