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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8O2
Molecular Weight 88.1051
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIOXANE

SMILES

C1COCCO1

InChI

InChIKey=RYHBNJHYFVUHQT-UHFFFAOYSA-N
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

HIDE SMILES / InChI

Molecular Formula C4H8O2
Molecular Weight 88.1051
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 14:59:33 UTC 2023
Edited
by admin
on Fri Dec 15 14:59:33 UTC 2023
Record UNII
J8A3S10O7S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIOXANE
MI  
Systematic Name English
DIOXAN [MART.]
Common Name English
1,4-DIOXANE [USP-RS]
Common Name English
1,4-DIOXANE [IARC]
Common Name English
DIOXANE [MI]
Common Name English
1,4-DIOXANE
HSDB  
Systematic Name English
NSC-8728
Code English
1,4-DIOXANE [HSDB]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C45187
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
Code System Code Type Description
DAILYMED
J8A3S10O7S
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
EVMPD
SUB130313
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
HSDB
81
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
RXCUI
2383534
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
RS_ITEM_NUM
1601521
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
WIKIPEDIA
1,4-DIOXANE
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
PUBCHEM
31275
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
CHEBI
46923
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
DRUG BANK
DB03316
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
MERCK INDEX
m4598
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID4020533
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
CHEBI
47032
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
SMS_ID
100000156409
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-661-8
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
NSC
8728
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
FDA UNII
J8A3S10O7S
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
CAS
123-91-1
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
MESH
C025223
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY
NCI_THESAURUS
C44298
Created by admin on Fri Dec 15 14:59:33 UTC 2023 , Edited by admin on Fri Dec 15 14:59:33 UTC 2023
PRIMARY NCIT
Related Record Type Details
METABOLITE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
Limit of Residual Solvents
CHROMATOGRAPHIC PURITY (GC)
USP