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

Details

Stereochemistry MIXED
Molecular Formula C8H18O3
Molecular Weight 162.2267
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-OXYDI-2-BUTANOL

SMILES

CC(O)CCOCCC(C)O

InChI

InChIKey=AFSYRVDDZGJTIL-UHFFFAOYSA-N
InChI=1S/C8H18O3/c1-7(9)3-5-11-6-4-8(2)10/h7-10H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H18O3
Molecular Weight 162.2267
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

4,4'-OXYDI-2-BUTANOL, or 2-Butanol, is a chiral organic compound that can be obtained as either of two stereoisomers designated as (R)-(−)-2-butanol and (S)-(+)-2-butanol. This compound is a secondary alcohol used as a solvent, primarily as the precursor to methyl ethyl ketone, used in household cleaning agents. The volatile esters of 2-Butanol are also used in perfumes and artificial flavorings. It is known to cause moderate skin, eye and respiratory tract irritation with prolonged exposure.

Approval Year

PubMed

PubMed

TitleDatePubMed
Structural characterization of the regioisomers of di(hydroxybutyl) ether by GC-EI MS and theoretical calculations.
2009-07
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:59:24 GMT 2025
Edited
by admin
on Mon Mar 31 22:59:24 GMT 2025
Record UNII
CR6X2Y7NRR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLENORMOL
Preferred Name English
4,4'-OXYDI-2-BUTANOL
MI  
Systematic Name English
DYSKINEBYL
Brand Name English
Hydroxybutyloxide [WHO-DD]
Common Name English
DHBE (DIHYDROXYDIBUTYLETHER)
Common Name English
4,4'-OXYDI-2-BUTANOL [MI]
Common Name English
OXYDIBUTANOL
Common Name English
DIHYDROXYDIBUTYLETHER
Common Name English
DISCINIL
Brand Name English
BIS(3-HYDROXYBUTYL) ETHER
Systematic Name English
DIS-CINIL
Brand Name English
DISKIN
Brand Name English
2-BUTANOL, 4,4'-OXYDI-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70870777
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
CAS
821-33-0
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
DRUG CENTRAL
891
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
DRUG BANK
DB14079
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-475-3
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
SMS_ID
100000141176
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
MERCK INDEX
m8329
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY Merck Index
FDA UNII
CR6X2Y7NRR
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
EVMPD
SUB90991
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
DAILYMED
CR6X2Y7NRR
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
EVMPD
SUB14144MIG
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
PUBCHEM
92141
Created by admin on Mon Mar 31 22:59:24 GMT 2025 , Edited by admin on Mon Mar 31 22:59:24 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY