Results for:
PubChem ID: 20653

2-methylhexanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Methylhexanoic acid
CVKMFSAVYPAZTQ-UHFFFAOYSA-N
CVKMFSAVYPAZTQ-UHFFFAOYSA-
alpha-methylhexanoic acid
alpha-Methylcaproic acid
2-Methylhexanoicacid
2-Hexanecarboxylic acid
2-METHYLHEXANOIC ACID
2-Methylcaproic acid
AC1L2GQ0
.alpha.-Methylcaproic acid
2-methyl-hexanoic acid
2-methyl hexanoic acid
AC1Q2V84
KSC492M7R
Hexanoic acid, methyl-
SCHEMBL22555
M0947
CTK3J2678
SBB072714
LP065699
DTXSID9044241
CHEMBL1789229
ACMC-209k28
KB-25119
DSSTox_GSID_44241
LS-75337
Hexanoic acid, 2-methyl-
ANW-30270
AN-21048
2-Methylhexanoic acid, 99%
DSSTox_CID_24241
MFCD00002674
DSSTox_RID_80132
ACN-S004135
LMFA01020080
DB-070642
RT-000898
ST45029001
AKOS009158603
(-)-2-methylhexanoic acid
FT-0613050
FEMA No. 3191
BRN 1721227
I14-16341
2-Methylhexanoic acid, >=99%, FG
Tox21_302640
MCULE-7933263354
NCGC00256711-01
4536-23-6
EINECS 224-883-9
22160-12-9
CAS-4536-23-6
104490-70-2
MolPort-001-788-496
InChI=1/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
Microorganism:

Yes

IUPAC name2-methylhexanoic acid
SMILESCCCCC(C)C(=O)O
InchiInChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
FormulaC7H14O2
PubChem ID20653
Molweight130.187
LogP2.35
Atoms23
Bonds22
H-bond Acceptor2
H-bond Donor1
Chemical Classificationcarboxylic acids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/an/a
FungiTuber Melanosporumn/an/a