Results for:
PubChem ID: 61098

3,7-dimethylocta-1,6-dien-3-yl Propanoate

Mass-Spectra

Compound Details

Synonymous names	Linalyl propionate 144-39-8 Linalyl propanoate 3,7-dimethylocta-1,6-dien-3-yl propanoate Linalool propionate 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, PROPANOATE 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate Propionic acid, linalyl ester FEMA No. 2645 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate 3,7-dimethylocta-1,6-dien-3-yl propionate Linalyl n-propionate 3,7-Dimethyl-1,6-octadien-3-ol propanoate 3,7-Dimethyl-1,6-octadien-3-yl propanoate 3,7-Dimethyl-1,6-octadien-3-yl propionate DTXSID1047574 (1)-1,5-Dimethyl-1-vinylhex-4-enyl propionate BI845A018T NSC-46139 EINECS 205-627-5 EINECS 305-130-4 NSC 46139 Propionic Acid Linalyl Ester UNII-BI845A018T AI3-24353 Propionic acid, linalyl ester (6CI) SCHEMBL538489 CHEMBL3186660 DTXCID9027574 LINALYL PROPIONATE [FCC] 1, 3,7-dimethyl-, propanoate 1, 3,7-dimethyl-, propionate FEMA 2645 LINALYL PROPIONATE [FHFI] CHEBI:174062 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate (7CI,8CI) (+/-)-LINALYL PROPIONATE NSC46139 Tox21_302590 BBL028020 MFCD00048607 STL372904 AKOS015955727 MCULE-2906319134 Linalyl propionate, >=95%, FCC, FG NCGC00256878-01 CAS-144-39-8 VS-08647 1,5-Dimethyl-1-vinyl-4-hexenyl propionate DB-042731 CS-0318525 L0265 NS00012799 1,5-Dimethyl-1-vinyl-4-hexenyl propionate # D91259 Q27274686 methyl?2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Microorganism:	Yes
IUPAC name	3,7-dimethylocta-1,6-dien-3-yl propanoate
SMILES	CCC(=O)OC(C)(CCC=C(C)C)C=C
Inchi	InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3
Formula	C13H22O2
PubChem ID	61098
Molweight	210.31
LogP	3.8
Atoms	15
Bonds	7
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	terpenoids
CHEBI-ID	174062
Supernatural-ID	SN0405147

mVOC Specific Details

Boiling Point	Degree Reference 115 median
MS-Links	MS-MS Spectrum 121760 MS-MS Spectrum 64571 MS-MS Spectrum 121758 MS-MS Spectrum 64570 MS-MS Spectrum 121759 MS-MS Spectrum 64569
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006912

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Streptomyces Philanthi antifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4 NA Boukaew and Prasertsan 2020 Prokaryota Serratia Proteamaculans n/a NA Ercolini et al. 2009 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Streptomyces Philanthi sterile wheat seeds GC-MS no Prokaryota Serratia Proteamaculans n/a n/a no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no