Versatic 10

HCID 62838CAS 130776-67-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)CCCCCC(=O)O
InChIKey
YPIFGDQKSSMYHQ-UHFFFAOYSA-N
Molecular formula
C10H20O2
Average molar mass
172.26 g/mol
Monoisotopic mass
172.14632988

Names & identifiers

Preferred name
Versatic 10
IUPAC
7,7-dimethyloctanoic acid
English name
2,2-DIMETHYLCAPRYLIC ACID
Molecular formula
C10H20O2
Molecular weight
172.26

Names & synonyms

tert-DECANOIC ACIDVersatic 10 acid3HN3T2UTE652627-73-3RefChem:1100968DTXSID401020770610-878-2Versatic 107,7-dimethyloctanoic acidNEO-DECANOIC ACID130776-67-97,7-Dimethyloctanoicacid
Show more names
2,2-DIMETHYLCAPRYLIC ACID2,2-DIMETHYLOCTANOIC ACIDOctanoic acid, 7,7-dimethyl-
MFCD00068291Neo decanoic acidneo-decanoic acid, AldrichCPRSCHEMBL1962457DTXSID00866704Neodecanoic Acid, mixture of isomersAKOS006345516CS-W022922

Database identifiers

CAS
130776-67-9、52627-73-3、68412-21-5
PubChem CID
62838
DTXSID
DTXSID00866704
UNII
3HN3T2UTE6
EC Number
610-878-2
Nikkaji
J3.721.668B

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
12

Physicochemical properties

Boiling point
138 · 138-139 °C(Press: 9 Torr)
Density
0.9086 g/mL · 0.9086 g/mL at 25℃
refractive index
20 · n20/D1.439
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
pka
4.78 · 4.78±0.10(Predicted)

Safety & regulation

Safety data

wgk
3
Storage Class
10 - Combustible liquids

Chemistry & industry

Applications

Uses2,2-Dimethyloctanoic Acid is used in biological studies as benzyl dimethyloctanoate metabolite of sewage bacteria.

Suppliers1 total

河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

Related reactions

19 records
New reaction record

Linked notes

Loading…