Results for:
PubChem ID: 11508

3-methylpentan-1-ol

Mass-Spectra

Compound Details

Synonymous names	3-METHYL-1-PENTANOL 3-Methylpentan-1-ol 589-35-5 3-Methylpentanol 2-Ethyl-4-butanol 3-Ethyl-1-butanol 1-Pentanol, 3-methyl- FEMA No. 3762 MFCD00002937 N8W93SI0FS (+/-)-3-methyl-1-pentanol NSC-9466 20281-83-8 UNII-N8W93SI0FS NSC9466 3-methyl pentanol NSC 9466 EINECS 209-644-9 3-methyl pentan-1-ol 3-Methyl-pentan-1-ol AI3-38563 SCHEMBL14990 3-Methyl-1-pentanol, 99% SCHEMBL8988208 CHEBI:87381 DTXSID20862248 3-Methyl-(.+/-.)-1-Pentanol (DL)-3-METHYLPENTYL ALCOHOL LMFA05000111 3-Methyl-1-pentanol, >=99%, FG AKOS009156537 MCULE-6482427735 SB83830 1-Pentanol, 3-methyl-, (.+/-.)- BS-23125 SY061820 DB-050838 CS-0204814 M0600 NS00012960 D91364 EN300-140256 A869318 Q3278324 343268-11-1
Microorganism:	Yes
IUPAC name	3-methylpentan-1-ol
SMILES	CCC(C)CCO
Inchi	InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
Formula	C6H14O
PubChem ID	11508
Molweight	102.17
LogP	1.8
Atoms	7
Bonds	3
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	alcohols
CHEBI-ID	87381
Supernatural-ID	SN0157308

mVOC Specific Details

Boiling Point	Degree Reference 151 median
MS-Links	MS-MS Spectrum 103843 MS-MS Spectrum 103842 MS-MS Spectrum 169984 MS-MS Spectrum 169985 MS-MS Spectrum 169983 MS-MS Spectrum 103844
1D-NMR-Links	1D NMR Spectrum 4496 1D NMR Spectrum 4623
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006555 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008780 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009995

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Hypoxylon Anthochroum NA Macías-Rubalcava et al. 2018 Eukaryota Ascocoryne Sp. NA Griffin et al. 2010 Eukaryota Metschnikowia Lopburiensis NA NA Ljunggren et al. 2019 Eukaryota Metschnikowia Pulcherrima NA NA Ljunggren et al. 2019 Eukaryota Saccharomyces Cerevisiae NA NA Zhao et al. 2022 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Hypoxylon Anthochroum rice medium (RM, 300g of rice and 300ml of water) SPME, GC-MS yes Eukaryota Ascocoryne Sp. no Eukaryota Metschnikowia Lopburiensis liquid YPD medium GC-MS no Eukaryota Metschnikowia Pulcherrima liquid YPD medium GC-MS no Eukaryota Saccharomyces Cerevisiae synthetic grape juice HS-SPME no Eukaryota Saturnispora Diversa synthetic grape juice HS-SPME no Eukaryota Wickerhamomyces Anomalus synthetic grape juice HS-SPME no