Results for:
PubChem ID: 551387

(3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate

Compound Details

Synonymous names
74367-34-3
Propanoic acid, 2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester
3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate
(3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate
PROPANOICACID,2-METHYL-,3-HYDROX
2,4,4-Trimethyl-1,3-pentanediol 1-isobutyrate
SCHEMBL4671992
3-Hydroxy-2,2,4-trimethylpentyl ester of isobutanoic acid
DTXSID70881202
CHEBI:145718
3-Hydroxy-2,4,4-trimethylpentyl isobutyrate
NS00076570
3-HYDROXY-2,4,4-TRIMETHYLPENTYL-2-METHYLPROPANOATE
2-methylpropanoic acid 3-hydroxy-2,4,4-trimethylpentyl ester
Microorganism:

Yes

IUPAC name(3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OCC(C)C(C(C)(C)C)O
InchiInChI=1S/C12H24O3/c1-8(2)11(14)15-7-9(3)10(13)12(4,5)6/h8-10,13H,7H2,1-6H3
FormulaC12H24O3
PubChem ID551387
Molweight216.32
LogP3.1
Atoms15
Bonds6
H-bond Acceptor3
H-bond Donor1
Chemical Classificationorganic acids
CHEBI-ID145718
Supernatural-IDSN0422446

mVOC Specific Details


Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
Bacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno