4-methyl biphenyl
4-methylbiphenyl
 
Notes:
Present in cocoa. Flavouring ingredient
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      Product(s):
      644-08-6 4-Methylbiphenyl
       
  • Penta International
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      Product(s):
      13-28700 4-METHYLBIPHENYL
       
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  • Synerzine
    • Synerzine, Inc.
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      W1813 4-Methylbiphenyl
       
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      Product(s):
      M0563 4-Methylbiphenyl >98.0%(GC)
       
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      Product(s):
      4-Methylbiphenyl, 98+%
       
Synonyms   Articles   Notes   Search
CAS Number: 644-08-6Picture of molecule3D/inchi
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
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1334  4-methylbiphenyl
FEMA Number: 3186 4-methylbiphenyl
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):644-08-6 ; 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 mmHg @ 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)
 
 
Flavor Type: spicy
 
 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)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
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
Synerzine
4-Methylbiphenyl
TCI AMERICA
For experimental / research use only.
4-Methylbiphenyl >98.0%(GC)
WholeChem
4-Methylbiphenyl, 98+%
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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
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 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB32610
FooDB: FDB010551
Export Tariff Code: 2902.90.00.90
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
anise
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
para-anisyl phenyl acetateFL/FR
 dihydroanetholFL/FR
 estragoleFL/FR
 ethyl para-anisateFL/FR
 methyl para-anisateFL/FR
 ocimum basilicum herb oilFL/FR
balsamic
 benzyl cinnamateFL/FR
alpha-bisaboleneFL/FR
 guaiacyl phenyl acetateFL/FR
floral
isobutyl salicylateFL/FR
 cardamom absoluteFL/FR
 cyclohexyl ethyl alcoholFL/FR
 ethyl anthranilateFL/FR
 geranium oil bourbonFL/FR
 jasmin absolute italy (from concrete)FL/FR
(Z)-jasmoneFL/FR
 lavender oilFL/FR
 rhodinolFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
 tuberose absolute chassisFL/FR
 ylang ylang flower absoluteFL/FR
fruity
 cinnamyl isobutyrateFL/FR
(E,E)-ethyl sorbateFL/FR
green
para-dimethyl hydroquinoneFL/FR
 marigold pot absoluteFL/FR
herbal
 clary sage absoluteFL/FR
 coriander seed absoluteFL/FR
 rose oil (rosa centifolia) moroccoFL/FR
 sunflower oilFL/FR
licorice
(E)-anetholFL/FR
minty
 betula lenta bark oil americaFL/FR
 ethyl benzoateFL/FR
 ethyl salicylateFL/FR
 methyl salicylateFL/FR
 wintergreen oilFL/FR
phenolic
 anisoleFL/FR
 methyl benzoateFL/FR
spicy
homoanisaldehydeFL/FR
 artemisia dracunculus herb oilFL/FR
(Z)-cinnamyl acetateFL/FR
(E)-cinnamyl acetateFL/FR
 cinnamyl acetateFL/FR
 cinnamyl propionateFL/FR
 croton eluteria bark oilFL/FR
isoeugenyl acetateFL/FR
star jasmine specialty 
 mace oleoresinFL/FR
para-methoxy-alpha-methyl cinnamaldehydeFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
 origanum majorana leaf oilFL/FR
 spicy acetoacetateFL/FR
terpenic
 angelica seed oilFL/FR
tropical
 hotrienolFL/FR
 
For Flavor
 
No flavor group found for these
 amyl furoateFL/FR
homoanisaldehydeFL/FR
alpha-bisaboleneFL/FR
(Z)-cinnamyl acetateFL/FR
(E)-cinnamyl acetateFL/FR
4-ethyl anisoleFL
O-ethyl S-(2-furyl methyl) thiocarbonateFL
2-heptyl cyclopropane carboxylic acidFL
star jasmine specialty 
para-methoxy-alpha-methyl cinnamaldehydeFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
 methyl para-anisateFL/FR
(±)-3-((2-methyl-3-furyl)thio)-2-butanoneFL
 origanum majorana leaf oilFL/FR
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
anisic
para-anisyl phenyl acetateFL/FR
aromatic
 anisoleFL/FR
cooling
isobutyl salicylateFL/FR
floral
 cardamom absoluteFL/FR
 cinnamyl propionateFL/FR
 geranium oil bourbonFL/FR
 hotrienolFL/FR
 jasmin absolute italy (from concrete)FL/FR
 rhodinolFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
 tuberose absolute chassisFL/FR
 ylang ylang flower absoluteFL/FR
fruity
 cinnamyl isobutyrateFL/FR
 ethyl anthranilateFL/FR
(E,E)-ethyl sorbateFL/FR
green
 clary sage absoluteFL/FR
 cyclohexyl ethyl alcoholFL/FR
para-dimethyl hydroquinoneFL/FR
(E,E)-2,4-hexadienalFL
 marigold pot absoluteFL/FR
herbal
 coriander seed absoluteFL/FR
 dihydroanetholFL/FR
 lavender oilFL/FR
 ocimum basilicum herb oilFL/FR
 rose oil (rosa centifolia) moroccoFL/FR
 sunflower 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
 guaiacyl phenyl acetateFL/FR
 methyl benzoateFL/FR
spicy
 artemisia dracunculus herb oilFL/FR
 benzyl cinnamateFL/FR
 cinnamyl acetateFL/FR
 croton eluteria bark oilFL/FR
isoeugenyl acetateFL/FR
 mace oleoresinFL/FR
 spicy acetoacetateFL/FR
woody
(Z)-jasmoneFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 chocolateFL
 herbalFL
 licoriceFL
 mintFL
 wintergreenFL
Synonyms   Articles   Notes   Search   Top
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-
Synonyms   Articles   Notes   Search   Top
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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