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

4-tert-butyl toluene
benzene, 1-(1,1-dimethylethyl)-4-methyl-

Supplier Sponsors

Name:1-tert-butyl-4-methylbenzene
CAS Number: 98-51-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-675-9
FDA UNII: 589519D43L
Nikkaji Web:J54.420E
Beilstein Number:2038670
MDL:MFCD00008837
XlogP3:4.50 (est)
Molecular Weight:148.24852000
Formula:C11 H16
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic fragrance agents and aromatic raw materials
 
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
Specific Gravity:0.86100 to 0.86400 @ 20.00 °C.
Pounds per Gallon - (est).: 7.173 to 7.198
Refractive Index:1.49000 to 1.49200 @ 20.00 °C.
Melting Point: -52.00 °C. @ 760.00 mm Hg
Boiling Point: 190.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.646000 mmHg @ 25.00 °C. (est)
Flash Point: 130.00 °F. TCC ( 54.00 °C. )
logP (o/w): 5.170
Soluble in:
 alcohol
 water, 2.969 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
p-tert-butyl toluene 98%
EMD Millipore
For experimental / research use only.
4-tert-Butyltoluene
sds
Penta International
4-TERT-BUTYLTOLUENE
Santa Cruz Biotechnology
For experimental / research use only.
4-tert-Butyltoluene
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-tert-Butyltoluene 95%
sds
TCI AMERICA
For experimental / research use only.
4-tert-Butyltoluene >95.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 10 - Flammable.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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 1555 mg/kg
LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.

oral-rabbit LD50 1728 mg/kg
BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.

oral-mouse LD50 778 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.

Dermal Toxicity:
skin-rabbit LD50 16934 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.

Inhalation Toxicity:
inhalation-rat LC50 165 ppm/8H
SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.

inhalation-mouse LC50 248 ppm/4H
BEHAVIORAL: EXCITEMENT PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.

inhalation-human TCLo 10 ppm/3M
GASTROINTESTINAL: NAUSEA OR VOMITING
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954.

inhalation-human TCLo 20 ppm/5M
SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: CHANGE IN FUNCTION: TASTE GASTROINTESTINAL: NAUSEA OR VOMITING
"Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 156, 1960.
 
Safety in Use Information:
Category:
cosmetic fragrance agents and aromatic raw materials
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 4-tert-butyl toluene usage levels up to:
  0.0100 % in the fragrance concentrate.
 
Recommendation for 4-tert-butyl toluene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):98-51-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7390
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2667
WGK Germany:3
1-tert-butyl-4-methylbenzene
Chemidplus:0000098511
EPA/NOAA CAMEO:hazardous materials
RTECS:98-51-1
 
References:
 1-tert-butyl-4-methylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:98-51-1
Pubchem (cid):7390
Pubchem (sid):134971301
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2902.90.9000
ChemSpider:View
Formulations/Preparations:
grade: technical
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzene, 1-(1,1-dimethylethyl)-4-methyl-
4-tert-butyl-1-methylbenzene
1-tert-butyl-4-methylbenzene
4-(tert-butyl)-1-methylbenzene
p-(t-butyl)toluene
4-t-butyltoluene
4-tert-butyltoluene
p-t-butyltoluene
p-tert-butyltoluene
1-(1,1-dimethylethyl)-4-methylbenzene
1-methyl-4-(2-methyl-2-propanyl)benzene
1-methyl-4-tert-butyl benzene
1-methyl-4-tert-butylbenzene
8-methyl-p-cymene
8-methyl-para-cymene
4-methyl-tert-butyl benzene
p-methyl-tert-butyl benzene
para-methyl-tert-butyl benzene
4-methyl-tert-butylbenzene
 PTBT
p-TBT
 toluene, p-t-butyl-
 toluene, p-tert-butyl-
 

Articles:

PubMed:Time and temperature effects on the digestive ripening of gold nanoparticles: is there a crossover from digestive ripening to Ostwald ripening?
PubMed:Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O2/acetic acid system: insights into selectivity and mechanism.
PubMed:Environmental green chemistry as defined by photocatalysis.
PubMed:[Determination of p-tert-butyl toluene in air of working places with gas chromatography].
PubMed:Four weeks' inhalation exposure of Long Evans rats to 4-tert-butyltoluene: effect on evoked potentials, behaviour, and brain neurochemistry.
PubMed:Two weeks inhalation exposure to 4-tert-butyltoluene causes persistent changes in visually evoked potentials in rats.
PubMed:Sensory-evoked potentials as indices of neurotoxicity in the rat: effect of 4-tert-butyltoluene.
PubMed:The crystal structure of the inclusion complex of cyclomaltoheptaose (beta-cyclodextrin) with 4-tert-butyltoluene.
PubMed:Neurotoxic properties of musk ambrette.
PubMed:Metabolism of p-tert.-butyltoluene in the rat and guinea pig.
PubMed:[Extraction and chromatographic determination of 2,3,6-trichlorotoluene and 2,3,6-trichloro-p-tert-butyltoluene in water].
PubMed:[Effect of chlorinated paratertiary butyltoluenes on kidney function].
PubMed:The distribution of 14C-p-tert.-butyltoluene (TBT) following inhalation by the rat: a whole body autoradiographic study.
PubMed:Uptake, distribution and elimination of p-tert-butyltoluene (TBT) in mice by inhalation.
 
Notes:
None found
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