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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
2-ethyl-2,5-dimethylhexanoic acid

Inventory

EC number:
248-093-9
EC name:
Neodecanoic acid
CAS number:
26896-20-8
CAS number:
26896-20-8
Synonyms
Names:
Neo-dodecanoic acid
Neodecanoic acid
Identifier:
IUPAC name
Neodecanoic Acid
Identifier:
IUPAC name
neodecanoic acid
Identifier:
other: InChl
1/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
Identifier:
other: SMILES notation
CC(C)(C)CCC(C)(C)C(=O)OH
Identifier:
other: SMILES notation
CC(C)(C)CCCCCCCC(=O)O
Identifier:
other: SMILES notation
CCC(C)(CCC(C)C)C(=O)O
Identifier:
other: InChl
InChI=1/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)

Molecular and structural information

Molecular formula:
C10H20O2
Molecular weight:
ca. 172.268
SMILES notation:
CC(C)(C)CCCCCC(=O)O
InChl:
InChI=1S/C10H20O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
26896-20-8