Results for:
PubChem ID: 20653

2-methylhexanoic Acid

Mass-Spectra

Compound Details

Synonymous names	2-METHYLHEXANOIC ACID 4536-23-6 2-Methylcaproic acid Hexanoic acid, 2-methyl- 2-Methylhexanoicacid 2-Hexanecarboxylic acid Methylhexanoic acid alpha-Methylcaproic acid 2-methyl-hexanoic acid FEMA No. 3191 .alpha.-Methylcaproic acid 2-?Methylhexanoic acid LUK37N0QM8 DTXSID9044241 2-methyl hexanoic acid 104490-70-2 Hexanoic acid, methyl- EINECS 224-883-9 UNII-LUK37N0QM8 BRN 1721227 alpha-methylhexanoic acid hexane-2-carboxylic acid alpha -Methylcaproic acid (-)-2-methylhexanoic acid SCHEMBL22555 2-Methylhexanoic acid, 99% CHEMBL1789229 DTXCID7024241 CVKMFSAVYPAZTQ-UHFFFAOYSA- FEMA 3191 CHEBI:138489 Tox21_302640 LMFA01020080 MFCD00002674 s6079 2-METHYLHEXANOIC ACID [FHFI] 2-Methylhexanoic acid, >=99%, FG AKOS009158603 EK-0701 MCULE-7933263354 SB74015 NCGC00256711-01 PD124072 CAS-4536-23-6 DB-070642 HY-128371 CS-0099247 M0947 D91409 EN300-196066 A826786 Q27283189 Z756390480 InChI=1/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
Microorganism:	Yes
IUPAC name	2-methylhexanoic acid
SMILES	CCCCC(C)C(=O)O
Inchi	InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
Formula	C7H14O2
PubChem ID	20653
Molweight	130.18
LogP	2.3
Atoms	9
Bonds	4
H-bond Acceptor	2
H-bond Donor	1
Chemical Classification	acids carboxylic acids organic acids
CHEBI-ID	138489
Supernatural-ID	SN0056652

mVOC Specific Details

MS-Links	MS-MS Spectrum 118870 MS-MS Spectrum 118871 MS-MS Spectrum 118869 MS-MS Spectrum 50493 MS-MS Spectrum 50495 MS-MS Spectrum 50494
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009191

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Tuber Aestivum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al. 2003 Eukaryota Tuber Melanosporum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al. 2003 Saccharomyces Cerevisiae Ji et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Tuber Aestivum n/a n/a no Eukaryota Tuber Melanosporum n/a n/a no Saccharomyces Cerevisiae Sauce Meat during Storage SPME–GC–MS no