Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
203-620-1
EC name:
2,6-dimethylheptan-4-one
CAS number:
108-83-8

No inventory information available

Reference substance information

IUPAC name:
2,6-dimethylheptan-4-one
Synonyms
Names:
2,6-Dimethyl-4-heptanone
4-Heptanone, 2,6-dimethyl-
DIBK
Diisobutyl ketone
Identifier:
CAS number
108-83-8
Identifier:
EC number
203-620-1
Identifier:
IUPAC name
2,6-dimethylheptan-4-one
Identifier:
other: SMILES notation
CC(C)CC(=O)CC(C)C
Identifier:
other: InChl
InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3 AuxInfo=1/0/N:1,9,7,10,3,5,2,6,4,8/E:(1,2,3,4)(5,6)(7,8)/rA:10CCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d4;s2;s6;/rC:0,-.0241,0;1.3526,-.8083,0;2.6731,-.0159,0;4.0098,-.7922,0;5.3622,-.008,0;6.6989,-.7844,0;8.0035,0,0;3.9937,-2.313,0;1.3526,-2.313,0;6.715,-2.313,0;
2,6-dimethylheptan-4-one

CAS information

CAS number:
108-83-8

Molecular and structural information

Molecular formula:
C9H18O
Molecular weight:
142.239
SMILES notation:
CC(C)CC(=O)CC(C)C
InChl:
InChI=1/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
Structural formula:
Chemical structure