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

4-methyl biphenyl
4-methylbiphenyl

Sponsors

Name:1-methyl-4-phenylbenzene
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
FLAVIS Number:01.011 (Old)
FEMA Number:3186 4-methylbiphenyl
FDA Mainterm: 4-METHYLBIPHENYL
 
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
 
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).
 
Cosmetic Information:
None found
 
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)
 
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
 
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
 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: --
 
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
 
References:
 1-methyl-4-phenylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:644-08-6
Pubchem (cid):12566
Pubchem (sid):134976595
 
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
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
4-
ethyl anisole
FL
O-
ethyl S-(2-furyl methyl) thiocarbonate
FL
2-
heptyl cyclopropane carboxylic acid
FL
(±)-3-((2-
methyl-3-furyl)thio)-2-butanone
FL
green
green
(E,E)-2,4-
hexadienal
FL
licorice
2-
butyl-3-methyl pyrazine
FL
 
Potential Uses:
FLchocolate
FLherbal
FLlicorice
FLmint
FLwintergreen
 
Occurrence (nature, food, other):note
 not found in nature
 
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-
 

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.
 
Notes:
Present in cocoa. Flavouring ingredient
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