4-methyl biphenyl
4-methylbiphenyl
 
Notes:
Present in cocoa. Flavouring ingredient
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
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      Product(s):
      W1813 4-methylbiphenyl
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-28700 4-METHYLBIPHENYL
       
  • Sigma-Aldrich
    • Sigma-Aldrich
      Complete Supply Chain
      The perfect blend of products and services that bring your creativity to life.
      Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
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      Certified Food Grade Products
      Product(s):
      W318604 4-Phenyltoluene, ≥98%
      SDS
       
Synonyms   Articles   Notes   Search
1-methyl-4-phenylbenzene (Click)
CAS Number: 644-08-6Picture of molecule
ECHA EINECS - REACH Pre-Reg: 211-409-0
FDA UNII: 13J700766D
Nikkaji Web: J36.116J
Beilstein Number: 1904468
MDL: MFCD00008544
CoE Number: 2292
XlogP3: 4.60 (est)
Molecular Weight: 168.23864000
Formula: C13 H12
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: No longer supported by Industry (DG SANCO, 2012).
Category: flavoring 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
IBM Patents: Obtain
Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1334  4-methylbiphenyl
Flavis Number: 01.011 (Old)
FEMA Number: 3186  4-methylbiphenyl
FDA Mainterm: 4-METHYLBIPHENYL
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Physical Properties:
Appearance: white crystals (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 49.00 to  50.00 °C. @ 760.00 mm Hg
Boiling Point: 267.00 to  268.00 °C. @ 760.00 mm Hg
Boiling Point: 134.00 to  136.00 °C. @ 15.00 mm Hg
Vapor Pressure: 0.013000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 4.630
Soluble in:
 alcohol
 water, 6.968 mg/L @ 25 °C (est)
 water, 4.05 mg/L @ 25 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: spicy
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 floral  spicy  wintergreen  anise  waxy  minty  
Odor Description:
at 1.00 % in dipropylene glycol. 
floral spicy wintergreen anise waxy mint
 floral  spicy  wintergreen  tarragon  waxy  cooling  minty  
Odor Description:
Floral, spicy, wintergreen, estragole and waxy with cooling, minty nuances
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
 grape  fig  
Taste Description:
grape fig
 spicy  tarragon  fennel  floral  wintergreen  
Taste Description:
at 12.00 ppm.  
Spicy, estragole, fennel, floral and wintergreen
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
  
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Cosmetic Information:
None found
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Suppliers:
CTC Organics
4-methylbiphenyl
Parchem
4-methyl biphenyl
Penta International
4-METHYLBIPHENYL
Santa Cruz Biotechnology
For experimental / research use only.
4-Phenyltoluene
Sigma-Aldrich
4-Phenyltoluene, ≥98%
Odor: chocolate; fennel; herbaceous; spicy; minty
Certified Food Grade Products
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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  2570 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 4-methyl biphenyl usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0085 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.08 (μg/capita/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 4
Click here to view publication 4
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -5.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3
View page or View pdf
EPI System: View
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 644-08-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12566
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 1-methyl-4-phenylbenzene
Chemidplus: 0000644086
RTECS: DV5460000 for cas# 644-08-6
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References:
 1-methyl-4-phenylbenzene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 644-08-6
Pubchem (cid): 12566
Pubchem (sid): 134976595
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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
FDA Everything Added to Food in the United States (EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB32610
FooDB: FDB010551
Export Tariff Code: 2902.90.00.90
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 dehydro-ar-ionene 
amber
 angelica seed oilFL/FR
anise
 anise oleoresinFL/FR
 anise seed oilFL/FR
star anise seed oil chinaFL/FR
 anise seed oil colombiaFL/FR
star anise seed oil terpenelessFL/FR
sweet fennel absoluteFL/FR
sweet fennel oleoresinFL/FR
sweet fennel seed oilFL/FR
anisic
 amyl furoateFL/FR
(Z)-anethol 
para-anisyl phenyl acetateFL/FR
para-anisyl propanalFR
 dihydroanetholFL/FR
 estragoleFL/FR
 ethyl para-anisateFL/FR
 methyl para-anisateFL/FR
 ocimum basilicum herb oilFL/FR
balsamic
 nonyl benzoate 
floral
 anise indeneFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 autumn carboxylateFR
 cardamom absoluteFL/FR
 ethyl anthranilateFL/FR
isoeugenyl ethyl acetalFR
 heliotropyl diethyl acetalFR
(Z)-jasmoneFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
 ylang ylang flower absoluteFL/FR
fruity
 allyl salicylateFR
 cinnamyl isobutyrateFL/FR
(E,E)-ethyl sorbateFL/FR
 grapefruit acetalFR
green
para-dimethyl hydroquinoneFL/FR
 marigold pot absoluteFL/FR
herbal
 clary sage absoluteFL/FR
 tricyclodecenyl isobutyrateFR
licorice
(E)-anetholFL/FR
 clausena anisata leaf oil 
minty
 betula lenta bark oil americaFL/FR
 ethyl benzoateFL/FR
 ethyl salicylateFL/FR
bitter fennel flower oil lithuania 
 methyl salicylateFL/FR
 wintergreen oilFL/FR
phenolic
 anisoleFL/FR
 methyl benzoateFL/FR
spicy
 amyl isoeugenolFR
homoanisaldehydeFL/FR
 artemisia dracunculus herb oilFL/FR
 cananga leaf oilFR
(E)-cinnamyl acetateFL/FR
 cinnamyl acetateFL/FR
 croton eluteria bark oilFL/FR
isocyclogeraniol (IFF)FR
 elemicin 
isoeugenyl acetateFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
tropical
 hotrienolFL/FR
woody
 cedarwood oil port orfordFR
 rhubarb oxiraneFR
 
For Flavor
 
No flavor group found for these
 amyl furoateFL/FR
(Z)-anethol 
homoanisaldehydeFL/FR
 anisoleFL/FR
para-anisyl phenyl acetateFL/FR
(E)-cinnamyl acetateFL/FR
 clausena anisata leaf oil 
 dehydro-ar-ionene 
para-dimethyl hydroquinoneFL/FR
 elemicin 
4-ethyl anisoleFL
 ethyl anthranilateFL/FR
O-ethyl S-(2-furyl methyl) thiocarbonateFL
bitter fennel flower oil lithuania 
(E)-para-methoxycinnamaldehydeFL/FR
 methyl para-anisateFL/FR
(±)-3-((2-methyl-3-furyl)thio)-2-butanoneFL
 nonyl benzoate 
amber
 angelica seed oilFL/FR
anise
(E)-anetholFL/FR
 anise oleoresinFL/FR
 anise seed oilFL/FR
star anise seed oil chinaFL/FR
 anise seed oil colombiaFL/FR
star anise seed oil terpenelessFL/FR
 ethyl para-anisateFL/FR
sweet fennel absoluteFL/FR
sweet fennel oleoresinFL/FR
sweet fennel seed oilFL/FR
floral
 cardamom absoluteFL/FR
 hotrienolFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
 ylang ylang flower absoluteFL/FR
fruity
 cinnamyl isobutyrateFL/FR
(E,E)-ethyl sorbateFL/FR
green
 clary sage absoluteFL/FR
(E,E)-2,4-hexadienalFL
 marigold pot absoluteFL/FR
herbal
 dihydroanetholFL/FR
 ocimum basilicum herb oilFL/FR
licorice
2-butyl-3-methyl pyrazineFL
 estragoleFL/FR
medicinal
 ethyl benzoateFL/FR
minty
 betula lenta bark oil americaFL/FR
 ethyl salicylateFL/FR
 methyl salicylateFL/FR
 wintergreen oilFL/FR
phenolic
 methyl benzoateFL/FR
spicy
 artemisia dracunculus herb oilFL/FR
 cinnamyl acetateFL/FR
 croton eluteria bark oilFL/FR
isoeugenyl acetateFL/FR
woody
(Z)-jasmoneFL/FR
 
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Potential Uses:
 chocolateFL
 herbalFL
 licoriceFL
 mintFL
 wintergreenFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 biphenyl, 4-methyl-
1,1'-biphenyl, 4-methyl-
para-methyl biphenyl
4-methyl diphenyl
p-methyl diphenyl
para-methyl phenyl benzene
(4-methyl phenyl) benzene
4-methyl-1-phenylbenzene
4-methyl-1,1'-biphenyl
1-methyl-4-phenyl benzene
1-methyl-4-phenylbenzene
4-methylbiphenyl
p-methylbiphenyl
para-methylbiphenyl
p-methyldiphenyl
(4-methylphenyl)benzene
p-methylphenylbenzene
 methylphenylbenzene, p-
4-phenyl toluene
4-phenyltoluene
 phenyltoluene, p-
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Articles:
US Patents: 3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed: Volatile hydrocarbons inhibit methanogenic crude oil degradation.
PubMed: Chlorido[2-({[2-(diphenyl-phosphan-yl)-benzyl-idene]amino}-meth-yl)thio-phene-ÎșN,P]methyl-palladium(II).
PubMed: Determination of aromatic and polycyclic aromatic hydrocarbons in gasoline using programmed temperature vaporization-gas chromatography-mass spectrometry.
PubMed: Active core structure of terfestatin A, a new specific inhibitor of auxin signaling.
PubMed: Receptors mediating tachykinin-evoked depolarisations of neurons in the neonatal rat spinal cord.
PubMed: Effects of RP 67580, a tachykinin NK1 receptor antagonist, on a primary afferent-evoked response of ventral roots in the neonatal rat spinal cord.
PubMed: A novel antagonist, phenylbenzene omega-phosphono-alpha-amino acid, for strychnine-sensitive glycine receptors in the rat spinal cord.
PubMed: The lower pathway operon for benzoate catabolism in biphenyl-utilizing Pseudomonas sp. strain IC and the nucleotide sequence of the bphE gene for catechol 2,3-dioxygenase.
PubMed: Complete template-directed enzymatic synthesis of a potential antisense DNA containing 42 methylphosphonodiester bonds.
PubMed: Differences in the effects of tachykinin NK1 receptor antagonists: neuronal versus smooth muscle tissues.
PubMed: Non-peptide antagonists, CP-96,345 and RP 67580, distinguish species variants in tachykinin NK1 receptors.
PubMed: Effects of ortho-methyl substituents on the mutagenicity of aminobiphenyls and aminonaphthalenes.
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