Results for:
PubChem ID: 7461

1-methyl-4-propan-2-ylcyclohexa-1,4-diene

Mass-Spectra

Compound Details

Synonymous names	GAMMA-TERPINENE 99-85-4 p-Mentha-1,4-diene Crithmene Moslene gamma-Terpinen 1,4-p-Menthadiene 4-Isopropyl-1-methyl-1,4-cyclohexadiene .gamma.-Terpinen TERPINENE, ALPHA .gamma.-Terpinene 1-methyl-4-propan-2-ylcyclohexa-1,4-diene 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- 1-Isopropyl-4-methyl-1,4-cyclohexadiene 1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene FEMA No. 3559 gamma-Terpinene (natural) 1-Methyl-4-isopropylcyclohexadiene-1,4 1-isopropyl-4-methylcyclohexa-1,4-diene NSC 21448 1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene UNII-4YGF4PQP49 1,4-Cyclohexadiene, 1-methyl-4-isopropyl- EINECS 202-794-6 4YGF4PQP49 1-Methyl-4-isopropyl-1,4-cyclohexadiene DTXSID6041210 CHEBI:10577 AI3-26468 NSC-21448 DTXCID4021210 MFCD00001537 Crithmene; Moslene; NSC 21448; gamma-Terpinene Gamma-terpinene gamma-terpinene Alpha terpinene Gamma terpinene -terpinene gamma -Terpinene Terpinene, .gamma.- ? TERPINENE ?-TERPINENE gamma-Terpinene, 97% 1-isopropyl-4-methyl-cyclohexa-1,4-diene |A-TPN bmse000778 1, 1-methyl-4-isopropyl- GAMMA-TERPINENE [FCC] CHEMBL449693 gamma-Terpinene, >=95%, FG NSC21448 gamma-Terpinene, analytical standard Tox21_300963 WLN: L6U CUTJ AY1&1 D1 gamma-Terpinene, natural, 95%, FG P-MENTHA-1,4-DIENE [FHFI] AKOS015840812 1ST1650 HY-W020183 LMPR0102090027 CAS-99-85-4 NCGC00248232-01 NCGC00254865-01 BS-23574 gamma-Terpinene, purum, >=97.0% (GC) 1-Isopropyl-4-methyl-1,4-cyclohexadiene # M0318 NS00013198 C09900 E80754 EN300-211578 Q423975 W-100015 Z1255382936 gamma-Terpinene, primary pharmaceutical reference standard InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H 9NI
Microorganism:	Yes
IUPAC name	1-methyl-4-propan-2-ylcyclohexa-1,4-diene
SMILES	CC1=CCC(=CC1)C(C)C
Inchi	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
Formula	C10H16
PubChem ID	7461
Molweight	136.23
LogP	2.8
Atoms	10
Bonds	1
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	terpenes
CHEBI-ID	10577
Supernatural-ID	SN0452646

mVOC Specific Details

MS-Links	MS-MS Spectrum 9143 MS-MS Spectrum 2453 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 9144 MS-MS Spectrum 15816 MS-MS Spectrum 9145 MS-MS Spectrum 2451 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 2452 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 15815 MS-MS Spectrum 15817 MS-MS Spectrum 6085 - EI-B (HITACHI M-80) Positive MS-MS Spectrum 6083 - EI-B (HITACHI M-80B) Positive MS-MS Spectrum 6084 - EI-B (HITACHI M-80) Positive
1D-NMR-Links	1D NMR Spectrum 5131 1D NMR Spectrum 2747 - JEOL 90 MHz 1H NMR 1D NMR Spectrum 3441 - 50.32 MHz 13C NMR 1D NMR Spectrum 5130
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007120 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007396 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007568 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS088601 Massbank Spectrum MSBNK-RIKEN_ReSpect-PT208860 Massbank Spectrum MSBNK-RIKEN_ReSpect-PT208863

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Fumigatus NA NA Heddergott et al. 2014 Eukaryota Pythium Oligandrum N/A Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470. Sheikh et al. 2023 Eukaryota Hypoxylon Anthochroum NA Macías-Rubalcava et al. 2018 Eukaryota Trichoderma Hamatum NA Guo et al. 2019 Eukaryota Trichoderma Harzianum NA Guo et al. 2019 Eukaryota Trichoderma Virens NA Guo et al. 2019 Eukaryota Amanita Ovoidea France Breheret et al. 1997 Eukaryota Trichoderma Asperellum reduce downy mildew severity on Vitis vinifera (grapevine plants) Cotxarrera et al., 2002 Lazazzara et al. 2021 Eukaryota Trichoderma Atroviride reduce downy mildew severity on Vitis vinifera (grapevine plants) Pertot et al., 2008 Lazazzara et al. 2021 Eukaryota Trichoderma Harzianum reduce downy mildew severity on Vitis vinifera (grapevine plants) Eladet al., 1997 Lazazzara et al. 2021 Prokaryota Collimonas Pratensis na rhizosphere of Marram grass in sandy dune soils, Netherlands Garbeva et al. 2014 Prokaryota Collimonas Pratensis n/a NA Garbeva et al. 2014 Eukaryota Trichoderma Atroviride na water damaged buildings, Belgium Polizzi et al. 2012 Eukaryota Tuber Magnatum n/a Italian geographical areas ( Marche, Border region area between Emilia Romagna and Marche) Gioacchini et al. 2008 Eukaryota Trichoderma Atroviride NA Stoppacher et al. 2010 Kluyveromyces Marxianus Ji et al. 2024 Saccharomyces Cerevisiae Ji et al. 2024 Enterobacter Cloacae Tallon et al. 2023 Klebsiella Oxytoca Tallon et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Fumigatus Brian SPME/GC-MS no Eukaryota Pythium Oligandrum V8 juice agar SPME/GC-MS/MS no Eukaryota Hypoxylon Anthochroum rice medium (RM, 300g of rice and 300ml of water) SPME, GC-MS yes Eukaryota Trichoderma Hamatum Melin-Norkrans synthetic medium SBSE-GC-MS no Eukaryota Trichoderma Harzianum Melin-Norkrans synthetic medium SBSE-GC-MS no Eukaryota Trichoderma Virens Melin-Norkrans synthetic medium SBSE-GC-MS no Eukaryota Amanita Ovoidea forest soil solvent extraction, headspace, GCMS no Eukaryota Trichoderma Asperellum PDA media HS-SPME/GC-MS no Eukaryota Trichoderma Atroviride PDA media HS-SPME/GC-MS no Eukaryota Trichoderma Harzianum PDA media HS-SPME/GC-MS no Prokaryota Collimonas Pratensis sand containing artificial root exudates GC/MS no Prokaryota Collimonas Pratensis Headspace trapping/GC-MS no Eukaryota Trichoderma Atroviride malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar SPME-GC/MS no Eukaryota Tuber Magnatum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) no Eukaryota Trichoderma Atroviride Potato dextrose agar HS-SPME/GC-MS no Kluyveromyces Marxianus Sauce Meat during Storage SPME–GC–MS no Saccharomyces Cerevisiae Sauce Meat during Storage SPME–GC–MS no Enterobacter Cloacae tryptone soya broth (TSB) media Tenax/GC/MS no Klebsiella Oxytoca tryptone soya broth (TSB) media Tenax/GC/MS no