EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

cumene
(1-methylethyl)benzene

Supplier Sponsors

CAS Number: 98-82-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-704-5
FDA UNII:8Q54S3XE7K
Nikkaji Web:J3.581E
Beilstein Number:1236613
MDL:MFCD00008881
XlogP3:3.70 (est)
Molecular Weight:120.19464000
Formula:C9 H12
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 FDA/DG SANTE Petitions, Reviews, Notices:
FR DOC # 2012-4164 International Conference on Harmonisation; Final Recommendation for the Revision of the Permitted Daily Exposure for the Solvent Cumene According to the Maintenance Procedures for the Guidance Q3C Impurities: Residual So View - petition PDF
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86400 @ 25.00 °C.
Refractive Index:1.48460 @ 20.00 °C.
Boiling Point: 152.00 to 153.00 °C. @ 760.00 mm Hg
Vapor Pressure:4.500000 mmHg @ 25.00 °C.
Flash Point: 115.00 °F. TCC ( 46.11 °C. )
logP (o/w): 3.660
Soluble in:
 alcohol
 water, 61.3 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Novapex
Cumene
Penta International
CUMENE
Santa Cruz Biotechnology
For experimental / research use only.
Cumene
Sigma-Aldrich: Aldrich
For experimental / research use only.
Cumene 98%
 
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 1400 mg/kg
GASTROINTESTINAL: GASTRITIS
AMA Archives of Industrial Health. Vol. 14, Pg. 387, 1956.

oral-mouse LD50 12750 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971.

Dermal Toxicity:
skin-rabbit LD50 12300 ul/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Inhalation Toxicity:
inhalation-mouse LC50 10000 mg/m3/7H
BLOOD: CHANGES IN SPLEEN LIVER: MULTIPLE EFFECTS KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 264, 1944.

inhalation-human TCLo 200 ppm
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: IRRITABILITY
"Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 39, 1961.

inhalation-rat LCLo 8000 ppm/4H
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

 
Safety in Use Information:
Category: natural substances and extractives
Recommendation for cumene usage levels up to:
 not for fragrance use.
 
Recommendation for cumene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
ECHA (ESR):View
EPA-Iris:IRIS
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):98-82-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7406
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1918
WGK Germany:1
cumene
Chemidplus:0000098828
EPA/NOAA CAMEO:hazardous materials
RTECS:98-82-8
 
References:
 cumene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:98-82-8
Pubchem (cid):7406
Pubchem (sid):134971461
Pherobase:View
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C14396
HMDB (The Human Metabolome Database):HMDB34029
FooDB:FDB012268
Export Tariff Code:2902.70.0000
Haz-Map:View
Household Products:Search
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
•grades: technical; research; pure •0.16% wt in gasoline •99.9% min assay
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FRcumin oil replacer
FRthyme oil white replacer
 
Occurrence (nature, food, other):note
 cinnamon ceylon cinnamon bark
Search Trop Picture
 cumin oil
Search Trop Picture
 cumin seed
Search Trop Picture
 eucalyptus globulus oil pakistan @ trace%
Data GC Search Trop Picture
 ginger root
Search Trop Picture
 thyme oil
Search Trop Picture
 
Synonyms:
 benzene, (1-methylethyl)-
 benzene, 1-methylethyl-
 benzene, isopropyl
(methylethyl)benzene
(1-methylethyl)benzene
2-phenylpropane
(propan-2-yl)benzene
isopropylbenzene
 
 
Notes:
Trace constit. of ginger oil (Zingiber officinale) Cumene is the common name for isopropylbenzene, an organic compound that is an aromatic hydrocarbon. It is a constituent of crude oil and refined fuels. It is a flammable colorless liquid that has a boiling point of 152 C. Nearly all the cumene that is produced as a pure compound on an industrial scale is converted to cumene hydroperoxide, which is an intermediate in the synthesis of other industrially important chemicals such as phenol and acetone.
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