Results for:
PubChem ID: 26049

3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

Mass-Spectra

Compound Details

Synonymous names	3-Carene 13466-78-9 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene Delta-3-Carene Car-3-ene Monoterpenes Carene (+-)-delta3-Carene Delta-car-3-ene (+-)-3-Carene DELTA3-Carene Delta(3)-Carene DTXSID4047462 CHEBI:35661 Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- delta(sup 3)-Carene DTXCID2027462 74806-04-5 Bicyclo(4.1.0)hept-3-ene, 3,7,7(or 4,7,7)-trimethyl- EINECS 236-719-3 3,7,7-Trimethylbicyclo[4.1.0]-3-heptene 3,7,7-trimethyl-bicyclo[4.1.0]hept-3-ene UNII-H2M15SNR6N BRN 1902766 (1S)-(+)-3-Carene Bicyclo[4.1.0]hept-3-ene, 3,7,7(or 4,7,7)-trimethyl- (+)Car-3-ene .delta. 3-carene 3-.delta.-Carene .DELTA.-caR-3-ene EC 236-719-3 2-05-00-00095 (Beilstein Handbook Reference) 4,7,7-Trimethyl-3-norcarene FEMA NO. 3821 (+/-)-3-CARENE alpha-Carene 3,7,7-trimethyl bicyclohept-3-ene 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene 3-delta-Carene carene (delta-3-) 3,7,7(or 4,7,7)-Trimethylbicyclo(4.1.0)hept-3-ene delta-3-Carene (GC) 3-Carene, 90% 3-Carene, >=90% Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S)- (+/-)-delta3-CARENE 3-Carene, analytical standard CHEMBL506854 HY-N6663 Tox21_302632 MFCD00001315 s5595 AKOS015840953 CCG-266136 MCULE-2811504753 NCGC00256842-01 AS-80902 CAS-13466-78-9 DB-063033 CS-0083202 NS00001492 E77192 EN300-173315 W-110341 Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1R,6S)-rel-
Microorganism:	Yes
IUPAC name	3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
SMILES	CC1=CCC2C(C1)C2(C)C
Inchi	InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
Formula	C10H16
PubChem ID	26049
Molweight	136.23
LogP	2.8
Atoms	10
Bonds	0
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	terpenes
CHEBI-ID	35661
Supernatural-ID	SN0032754

mVOC Specific Details

Boiling Point	Degree Reference 172 median
MS-Links	MS-MS Spectrum 8228 MS-MS Spectrum 8229 MS-MS Spectrum 8230 MS-MS Spectrum 14902 MS-MS Spectrum 14901 MS-MS Spectrum 14900

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Candida Albicans ATCC MYA-2876, American Type Culture Collection Costa et al. 2020 Eukaryota Candida Glabrata ATCC 90030, American Type Culture Collection Costa et al. 2020 Eukaryota Candida Tropicalis ATCC 750, American Type Culture Collection Costa et al. 2020 Eukaryota Fusarium Graminearum n/a NA Busko et al. 2014 Eukaryota Tuber Magnatum n/a Italian geographical areas ( Marche, Border region area between Emilia Romagna and Marche) Gioacchini et al. 2008 Prokaryota Bacillus Pumilus promotion of performance of Chlorella sorokiniana Shih NA Amavizca et al. 2017 Eukaryota Antrodia Cinnamomea na na Lu et al. 2014 Eukaryota Fusarium Culmorum affects swarming and swimming motility of Serratia plymuthica PRI-2C; affects swarming ability of Collimonas pratensis Ter291 sandy dune soil, Netherlands Schmidt et al. 2015 Eukaryota Laccaria Bicolor na na Ditengou et al. 2015 Eukaryota Cenococcum Geophilum na na Ditengou et al. 2015 Eukaryota Ogataea Pini na mycangia of Dendroctonus brevicomis Davis et al. 2011 Eukaryota Piptoporus Betulinus na Sachsenwald near Hamburg Rösecke et al. 2000 Prokaryota Streptococcus Mutans as a biomarker for a breath test for detection of caries NA Hertel et al. 2016 Prokaryota Propionibacterium Acidifaciens as a biomarker for a breath test for detection of caries NA Hertel et al. 2016 Eukaryota Phytophthora Plurivora N/A Phytophthora plurivora Loulier et al. 2020 Meyerozyma Guilliermondii Xiong et al. 2023 Lentinula Edodes Geng et al. 2024 Saccharomyces Cerevisiae Ji et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Candida Albicans YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Candida Glabrata YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Candida Tropicalis YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Fusarium Graminearum yeast extract sucrose agar SPME/GC-MS no Eukaryota Tuber Magnatum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) no Prokaryota Bacillus Pumilus TSA SPME-GC no Eukaryota Antrodia Cinnamomea PDA GC/MS yes Eukaryota Fusarium Culmorum water agar supplied with artificial root exudates GC/MS-Q-TOF no Eukaryota Laccaria Bicolor modified Pachlewski medium capillary gas chromatography, GC/MS yes Eukaryota Cenococcum Geophilum modified Pachlewski medium capillary gas chromatography, GC/MS yes Eukaryota Ogataea Pini MEA GC/MS no Eukaryota Piptoporus Betulinus na GC/MS no Prokaryota Streptococcus Mutans Brain-Heart-Infusion agar Tenax-trap/GC-MS no Prokaryota Propionibacterium Acidifaciens Brain-Heart-Infusion agar Tenax-trap/GC-MS no Eukaryota Phytophthora Plurivora Potato Dextrose Agar SPME/GC-MS/MS standard Meyerozyma Guilliermondii YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose GC-MS and GC-IMS no Lentinula Edodes Jiuqu (traditional wheat Qu) GC-IMS no Saccharomyces Cerevisiae Sauce Meat during Storage SPME–GC–MS no