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ortho-cymene
2-isopropyltoluene

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Name:1-methyl-2-propan-2-ylbenzene
CAS Number: 527-84-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-426-0
FDA UNII: 2T13HF3266
Nikkaji Web:J20.277K
Beilstein Number:1850838
MDL:MFCD00008888
XlogP3-AA:3.40 (est)
Molecular Weight:134.22158000
Formula:C10 H14
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 177.00 to 179.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.500000 mmHg @ 25.00 °C.
Flash Point: 123.00 °F. TCC ( 50.60 °C. ) (est)
logP (o/w): 4.380
Soluble in:
 alcohol
 water, 23.3 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
o-CYMENE 95%
Santa Cruz Biotechnology
For experimental / research use only.
o-Cymene
Sigma-Aldrich: Aldrich
For experimental / research use only.
o-Cymene 99%
sds
TCI AMERICA
For experimental / research use only.
o-Cymene >99.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 2130 mg/kg
CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(3), Pg. 49, 1985.

oral-mouse LD50 2024 mg/kg
CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(3), Pg. 49, 1985.

intraperitoneal-mouse LD50 1315 mg/kg
CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(3), Pg. 49, 1985.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-mouse LC50 10300 mg/m3
CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(3), Pg. 49, 1985.
 
Safety in Use Information:
Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):527-84-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10703
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-methyl-2-propan-2-ylbenzene
Chemidplus:0000527844
RTECS:DA6127300 for cas# 527-84-4
 
References:
 1-methyl-2-propan-2-ylbenzene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10703
Pubchem (sid):134978612
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):HMDB37050
FooDB:FDB016032
Export Tariff Code:3203.00.8000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 arum maculatum
Search Trop Picture
 citrus aurantium
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 cypress cone oil egypt @ 0.1%
Data GC Search Trop Picture
 ferula cupularis flower oil @ 0.05%
Data GC Search Trop Picture
 labdanum oil @ 0.30%
Data GC Search Trop Picture
 lavender oil CO2 extract @ 0.14%
Data GC Search Trop Picture
 petitgrain oil @ 0.09%
Data GC Search Trop Picture
 ravintsara leaf oil @ 0.09%%
Data GC Search Picture
 rhynchosia minima
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 senecio articulatus
Search Trop Picture
 sesuvium portulacastrum
Search Trop Picture
 xylopia aethiopica
Search Trop Picture
 
Synonyms:
 benzene, 1-methyl-2-(1-methylethyl)-
 benzene, methyl(1-methylethyl)-
o-cymene
 cymene, ortho
o-cymol
ortho-cymol
1-methyl-2-(1-methyl ethyl) benzene
1-methyl-2-(1-methylethyl)benzene
1-methyl-2-isopropyl benzene
1-methyl-2-isopropylbenzene
1-methyl-2-isopropylbenzol
1-methyl-2-propan-2-ylbenzene
2-methylisopropylbenzene
2-isopropyl toluene
o-isopropyl toluene
ortho-isopropyl toluene
1-isopropyl-2-methyl benzene
1-isopropyl-2-methylbenzene
2-isopropyltoluene
o-isopropyltoluene
 

Articles:

PubMed:Investigation of the volatile constituents of different Gynura species from two Chinese origins by SPME/GC-MS.
PubMed:Antimycobacterial activity of constituents from Foeniculum vulgare var. dulce grown in Mexico.
PubMed:Chemical composition of essential oils of Litsea cubeba harvested from its distribution areas in China.
PubMed:[Extraction and analysis of chemical components of essential oil in Thymus vulgaris of tissue culture].
PubMed:Chemical composition and antioxidant activity of the essential oil of Tabernaemontana catharinensis A. DC. leaves.
PubMed:Gas chromatography/mass spectrometry analysis of Laurus nobilis essential oil composition of northern Cyprus.
PubMed:Chemical composition and biological activities of essential oil from the leaves of Sesuvium portulacastrum.
PubMed:[Study on the essential oil components in Thymus quinquecostatus Celak].
PubMed:Chemical analysis and antifungal activity of the essential oil of Calea clematidea.
 
Notes:
Isol. from Citrus aurantium (Seville orange)
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