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amyl benzene

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CAS Number: 538-68-1Picture of molecule3D/inchi
Other(deleted CASRN):74296-33-6
ECHA EINECS - REACH Pre-Reg:208-701-5
FDA UNII: 5409M6Z67M
Nikkaji Web:J6.376B
Beilstein Number:1904359
XlogP3:5.00 (est)
Molecular Weight:148.24852000
Formula:C11 H16
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge 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
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85900 to 0.86200 @ 20.00 °C.
Pounds per Gallon - (est).: 7.156 to 7.181
Refractive Index:1.48600 to 1.49000 @ 20.00 °C.
Melting Point: -75.00 °C. @ 760.00 mm Hg
Boiling Point: 205.00 to 206.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.439000 mmHg @ 25.00 °C.
Vapor Density:5.1 ( Air = 1 )
Flash Point: 149.00 °F. TCC ( 65.00 °C. )
logP (o/w): 4.900
Soluble in:
 water, 3.37 mg/L @ 25 °C (exp)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Pentylbenzene 96.0(GC)
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
Pentylbenzene 99%
For experimental / research use only.
Amylbenzene >98.0%(GC)
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
N - Dangerous for the environment.
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 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for amyl benzene usage levels up to:
 not for fragrance use.
Recommendation for amyl benzene flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):538-68-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10864
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10864
Pubchem (sid):134978415
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):Search
Export Tariff Code:2902.90.3050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 celery leaf oil
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 celery leaf oil @ trace%
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 celery seed
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 celery seed oil
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 lovage flower oil @ 0.48%
Data GC Search Trop Picture
 lovage leaf oil @ 0.30%
Data GC Search Trop Picture
 lovage root
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 lovage root oil @ 0.47%
Data GC Search Trop Picture
 lovage seed oil @ 0.26%
Data GC Search Trop Picture
 benzene, pentyl-
 pentane, 1-phenyl-
 pentyl benzene
1-phenyl pentane
None found
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