Results for:
PubChem ID: 6490

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

Compound Details

Synonymous names	Texanol 25265-77-4 77-68-9 3-Hydroxy-2,2,4-trimethylpentyl isobutyrate Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate 2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate) Isobutyraldehyde trimer (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate 2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE 3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate 1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate Isobutyric Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester 2-Methyl-propanoic Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester 9LJI14453C UNII-9LJI14453C Texanolesteralcohol EINECS 201-049-2 component of Texanol DSSTox_CID_7857 DSSTox_RID_78592 DSSTox_GSID_27857 SCHEMBL56321 CHEMBL3184970 DTXSID10872295 CHEBI:229355 Tox21_200148 MFCD00148967 AKOS015900105 CS-W014835 NCGC00164419-01 NCGC00248541-01 NCGC00257702-01 LS-14159 3-hydroxy-2,2,4-trimethylpentylisobutyrate CAS-25265-77-4 DB-228221 I0405 NS00008484 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropionate J-506772 Q27272708 Isobutyric acid 2,2,4-trimethylpentane-1,3-diol ester (+/-)-2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER 2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE, (+/-)- 1185060-32-5 3-Hydroxy-2,2,4-trimethylpentyl Isobutyrate (contains ca. 40% 2,2,4-Trimethyl-1,3-pentanediol 3-monoisobutyrate)
Microorganism:	Yes
IUPAC name	(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
SMILES	CC(C)C(C(C)(C)COC(=O)C(C)C)O
Inchi	InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
Formula	C12H24O3
PubChem ID	6490
Molweight	216.32
LogP	3.1
Atoms	15
Bonds	6
H-bond Acceptor	3
H-bond Donor	1
Chemical Classification	alcohols esters
CHEBI-ID	229355

mVOC Specific Details

Boiling Point

Degree Reference 255 median

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Debaryomyces Hansenii inhibitory and promoting effects on the growth of different microorganisms isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Saccharomyces Eubayanus NA NA Mardones et al. 2022
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Debaryomyces Hansenii artificial nectar media GC-MS no Eukaryota Saccharomyces Eubayanus YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%) HS‐SPME‐GC‐MS no