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527-84-4,MFCD00008888
Catalog No.:AA003TEC
527-84-4 | O-CYMENE
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003TEC
Chemical Name:
O-CYMENE
CAS Number:
527-84-4
MDL Number:
MFCD00008888
IUPAC Name:
1-methyl-2-propan-2-ylbenzene
InChI:
InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
InChI Key:
WWRCMNKATXZARA-UHFFFAOYSA-N
EC Number:
208-426-0
UNII:
2T13HF3266
NSC Number:
73976
Properties
Computed Properties
 
Complexity:
94.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.11g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.222g/mol
Monoisotopic Mass:
134.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
1-methyl-2-isopropylbenzene 
o-cymol 
1-Methyl-2-isopropylbenzene 
Benzene, 1-methyl-2-(1-methylethyl)- 
1-Methyl-2-isopropylbenzol 
ortho-cymene 
1-Methyl-2-(1-methylethyl)benzene 
1-methyl-2-propan-2-ylbenzene 
UNII-2T13HF3266 
HSDB 3427 
EINECS 208-426-0 
NSC 73976 
ortho-cymol 
BRN 1850838 
1-methyl,2-n-isopropylbenzene 
WWRCMNKATXZARA-UHFFFAOYSA-N 
1-methyl-2-(propan-2-yl)benzene 
1-(1-methylethyl)-2-methylbenzene 
1-Methyl-2-(1-methylethyl)-benzene 
2T13HF3266 
isopropyl toluene 
Methylisopropylbenzene 
o-Cymene, 98% 
O-CYMENE 
2-Methylisopropylbenzene 
AC1L1VRN 
ACMC-209l1s 
O-Mentha-1,3,5-triene 
Methyl(1-methylethyl)benzene 
1-isopropyl-2-methyl-benzene 
4-05-00-01057 (Beilstein Handbook Reference) 
DTXSID1052165 
CHEBI:89263 
2-METHYL-1-ISOPROPYLBENZENE 
2-Isopropyltoluene 
NSC73976 
ZINC1699439 
EINECS 246-674-1 
ANW-31550 
MFCD00008888 
NSC-73976 
AKOS015840505 
FCH1117726 
RTR-018701 
UN 2046 
527-84-4 
o-Cymene [UN2046] [Flammable liquid] 
AN-17660 
CC-11103 
CJ-28585 
LS-30887 
SC-68041 
1-Methyl-2-(1-methylethyl)benzene, 9CI 
o-Cymene [UN2046] [Flammable liquid] 
LS-165866 
TR-018701 
1-Isopropyl-2-methylbenzene 
FT-0704089 
C-34788 
UNII-830CI19HHD component WWRCMNKATXZARA-UHFFFAOYSA-N 
Isopropyltoluene 
Cymol 
CYMENE 
Benzene, methyl(1-methylethyl)- 
UN2046 
CID10703 
c0799 
o-Cymol 
C10H14 
C10-H14 
25155-15-1 
o-Isopropyltoluene 
CYMENE, ORTHO 
Literature

Title: Antimycobacterial activity of constituents from Foeniculum vulgare var. dulce grown in Mexico.

Journal: Molecules (Basel, Switzerland) 20120713

Title: Inhibition of cholinesterase by essential oil from food plant.

Journal: Phytomedicine : international journal of phytotherapy and phytopharmacology 20120615

Title: Chemical composition of essential oils of Litsea cubeba harvested from its distribution areas in China.

Journal: Molecules (Basel, Switzerland) 20120608

Title: Contact and fumigant toxicity of Cyperus rotundus steam distillate constituents and related compounds to insecticide-susceptible and -resistant Blattella germanica.

Journal: Journal of medical entomology 20120501

Title: In vitro control of post-harvest fruit rot fungi by some plant essential oil components.

Journal: International journal of molecular sciences 20120101

Title: Chemical composition and antimicrobial activity of Satureja hortensis and Trachyspermum copticum essential oil.

Journal: Iranian journal of microbiology 20111201

Title: [Extraction and analysis of chemical components of essential oil in Thymus vulgaris of tissue culture].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20111001

Title: The effect of microbial degradation on the chromatographic profiles of tiki torch fuel, lamp oil, and turpentine.

Journal: Journal of forensic sciences 20110701

Title: Effectiveness of different solid-phase microextraction fibres for differentiation of selected Madeira island fruits based on their volatile metabolite profile--identification of novel compounds.

Journal: Talanta 20110115

Title: Chemical composition and biological activities of Tunisian Cuminum cyminum L. essential oil: a high effectiveness against Vibrio spp. strains.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20100101

Title: Fingerprint of selected Salvia species by HS-GC-MS analysis of their volatile fraction.

Journal: Journal of chromatographic science 20090801

Title: Bay leaves improve glucose and lipid profile of people with type 2 diabetes.

Journal: Journal of clinical biochemistry and nutrition 20090101

Title: Bromido[1-(η-4-tert-butyl-benz-yl)-3-(2,4,6-trimethyl-benz-yl)benzimidazol-2-yl-idene]chloridoruthenium(II).

Journal: Acta crystallographica. Section E, Structure reports online 20090101

Title: Thymol and carvacrol production from leaves of wild Palestinian Majorana syriaca.

Journal: Bioresource technology 20080601

Title: Gas chromatography/mass spectrometry analysis of Laurus nobilis essential oil composition of northern Cyprus.

Journal: Journal of medicinal food 20071201

Title: Chemical composition and biological activities of essential oil from the leaves of Sesuvium portulacastrum.

Journal: Journal of ethnopharmacology 20060103

Title: Main compounds responsible for off-odour of strawberries infected by Phytophthora cactorum.

Journal: Letters in applied microbiology 20050101

Title: Chemical analysis and antifungal activity of the essential oil of Calea clematidea.

Journal: Planta medica 20020901

Title: [Study on the essential oil components in Thymus quinquecostatus Celak].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20010301

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