1-methyl cyclohexene
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1-methylcyclohexene (Click)
CAS Number: 591-49-1
ECHA EC Number:209-718-0
Beilstein Number:1304483
MDL:MFCD00001548
XlogP3-AA:2.40 (est)
Molecular Weight:96.17264000
Formula:C7 H12
BioActivity Summary:listing
NMR Predictor:Predict
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed:No
Specific Gravity:0.81300 @  25.00 °C.
Refractive Index:1.45000 @  20.00 °C.
Melting Point: -12.00 °C. @ 760.00 mm Hg
Boiling Point: 110.30 °C. @ 760.00 mm Hg
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Organoleptic Properties:
Odor Type:citrus
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
Odor Description:
at 1.00 % in dipropylene glycol. 
lime citrus
  
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Cosmetic Information:
None found
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Suppliers:
CTC Organics
3-methyl-1-cyclohexene
Santa Cruz Biotechnology
1-Methyl-1-cyclohexene
For experimental / research use only.
Sigma-Aldrich: Aldrich
1-Methyl-1-cyclohexene 97%
For experimental / research use only.
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Safety Information:
Oral/Parenteral Toxicity:
  Not determined
Dermal Toxicity:
  Not determined
Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category:natural substances and extractives
Recommendation for 1-methyl cyclohexene usage levels up to:
 not for fragrance use.
Recommendation for 1-methyl cyclohexene flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System:View
Chemicalize.org:Calculate predicted properties
EPA Substance Registry Services (TSCA):591-49-1
EPA ACToR:Toxicology Data
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3295
WGK Germany:2
 1-methylcyclohexene
DTP/NCI:66539
Chemidplus:0000591491
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References:
 1-methylcyclohexene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11574
Pubchem (sid):134977271
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Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
Export Tariff Code:2902.19.0050
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 citral dimethyl acetalFL/FR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
 citrus ocimenolFR
beta-cubebeneFL
 dihydromyrcenolFL/FR
 dihydromyrcenyl acetateFR
 dihydronootkatoneFL
alpha-dihydroterpineolFL/FR
 dihydroterpinyl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
(Z)-4-dodecenalFL/FR
 ethyl isobutyrateFL/FR
 heptanal cyclic ethylene acetalFR
 lemon hexadieneFL/FR
 lime octadienalFR
 dimyrcetolFR
 lime oil distilled mexicoFL/FR
 lime oil distilled peruFL/FR
persian lime oil expressedFL/FR
 lime oil expressed terpenelessFL/FR
 lime pyranFR
 neryl isovalerateFL/FR
 ocimenolFL/FR
 phenyl acetaldehyde diethyl acetalFL/FR
gamma-terpineneFL/FR
alpha-terpinyl acetateFL/FR
 terpinyl formateFL/FR
 tetrahydromyrcenolFR
 trimethyl cyclohexeneFR
(E)-2,5,9-trimethyl-4,9-decadien-1-alFR
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Potential Uses:
 citrusFR
 limeFR
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Natural Occurrence in: note
 lycopersicon esculentum
GRIN Trop Picture
 mesua ferrea
GRIN Trop Picture
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Synonyms:
 cyclohexene, 1-methyl-
alpha-methyl cyclohexene
1-methyl-1-cyclohexene
1-methyl-cyclohexene
1-methylcyclohex-1-ene
1-methylcyclohexene
alpha-methylcyclohexene
2,3,4,5-tetrahydrotoluene
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Articles:
PubMed:Effects of Chemical Complexity on the Autoxidation Mechanisms of Endocyclic Alkene Ozonolysis Products: From Methylcyclohexenes toward Understanding α-Pinene.
PubMed:Ozone-initiated terpene reaction products in five European offices: replacement of a floor cleaning agent.
PubMed:Ozone-initiated VOC and particle emissions from a cleaning agent and an air freshener: risk assessment of acute airway effects.
PubMed:Bis(imino)pyridine cobalt-catalyzed alkene isomerization-hydroboration: a strategy for remote hydrofunctionalization with terminal selectivity.
PubMed:Metabolomics pilot study to identify volatile organic compound markers of childhood asthma in exhaled breath.
PubMed:Catalytic hydrogenation activity and electronic structure determination of bis(arylimidazol-2-ylidene)pyridine cobalt alkyl and hydride complexes.
PubMed:Niobium-silica catalysts for the selective epoxidation of cyclic alkenes: the generation of the active site by grafting niobocene dichloride.
PubMed:Study of ozone-initiated limonene reaction products by low temperature plasma ionization mass spectrometry.
PubMed:Isolation of volatiles from Nigella sativa seeds using microwave-assisted extraction: effect of whole extracts on canine and murine CYP1A.
PubMed:Human reference values for acute airway effects of five common ozone-initiated terpene reaction products in indoor air.
PubMed:Kinetics and products of the reactions of OH radicals with cyclohexene, 1-methyl-1-cyclohexene, cis-cyclooctene, and cis-cyclodecene.
PubMed:Pressure dependent mechanistic branching in the formation pathways of secondary organic aerosol from cyclic-alkene gas-phase ozonolysis.
PubMed:Effectiveness of different solid-phase microextraction fibres for differentiation of selected Madeira island fruits based on their volatile metabolite profile--identification of novel compounds.
PubMed:Ozonolysis of cyclic alkenes as surrogates for biogenic terpenes: primary ozonide formation and decomposition.
PubMed:The development and evaluation of a continuous flow process for the lipase-mediated oxidation of alkenes.
PubMed:Secondary ozonides of substituted cyclohexenes: a new class of pollutants characterized by collision-induced dissociation mass spectrometry using negative chemical ionization.
PubMed:Heterogeneous reactions of ozone and D-limonene on activated carbon.
PubMed:9-Mesityl-10-methylacridinium: an efficient type II and electron-transfer photooxygenation catalyst.
PubMed:Palladium nanoparticles stabilized by alkylated polyethyleneimine as aqueous biphasic catalysts for the chemoselective stereocontrolled hydrogenation of alkenes.
PubMed:Photochemical sources of organic acids. 2. Formation of C5-C9 carboxylic acids from alkene ozonolysis under dry and humid conditions.
PubMed:Confined space-controlled hydroperoxidation of trisubstituted alkenes adsorbed on pentasil zeolites.
PubMed:Sesquiterpenes from Cupressus macrocarpa foliage.
PubMed:Secondary organic aerosol formation from the ozonolysis of cycloalkenes and related compounds.
PubMed:Study of the carbonyl products of terpene/OH radical reactions: detection of the 2,4-DNPH derivatives by HPLC-MS.
PubMed:Expression of benzene dioxygenase from Pseudomonas putida ML2 in cis-1,2-cyclohexanediol-degrading pseudomonads.
PubMed:Molecular addition compounds. 18. Borane adducts with hydroxydialkyl sulfide borates for hydroboration. New, essentially odorless, water-soluble sulfide borane acceptors for hydroboration.
PubMed:Enthalpy changes observed upon mixing liquid (R)- and (S)-enantiomers at 298.15 K.
PubMed:Unexpected catalyzed C=C bond cleavage by molecular oxygen promoted by a thiyl radical.
PubMed:Ozone removal in the sampling of parts per billion levels of terpenoid compounds: an evaluation of different scrubber materials.
PubMed:Isolation and characterization of the epoxide hydrolase-encoding gene from Xanthophyllomyces dendrorhous.
PubMed:Substrate range of benzylsuccinate synthase from Azoarcus sp. strain T.
PubMed:Limonene-1,2-epoxide hydrolase from Rhodococcus erythropolis DCL14 belongs to a novel class of epoxide hydrolases.
PubMed:Formation of Three-Membered Rings by S(H)i Displacement. Reverse of Cyclopropyl Ring Opening(1).
PubMed:Products of the Gas-Phase Reactions of a Series of 1-Alkenes and 1-Methylcyclohexene with the OH Radical in the Presence of NO.
PubMed:Major component in male sex pheromone of cereal pestEurygaster integriceps puton (Heteroptera: Scutelleridae) identified as a homosesquiterpenoid.
PubMed:Hydroboration kinetics: Unusual kinetics for the reaction of 9-borabicyclo[3.3.1]nonane with representative alkenes.
PubMed:[Spectrophotometric determination of 1-methylcyclohexene].
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Picture of molecule
Soluble in:
 alcohol
 water, 52 mg/L @ 25 °C (exp)
Insoluble in:
 water
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