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4-methyl biphenyl

Chemical Structure

General Material Information

Preferred name 4-methyl biphenyl
Trivial Name 4-Methylbiphenyl
Short Description 4-methylbiphenyl
Formula C13 H12
CAS Number 644-08-6
FEMA Number 3186
ECHA Number 211-409-0
FDA UNII 13J700766D
Nikkaji Number J36.116J
Beilstein Number 1904468
MDL MFCD00008544
COE Number 2292
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1334 4-methylbiphenyl
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 644-08-6 ; 4-METHYLBIPHENYL
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-
  • 1-methyl-4-phenylbenzene
  • 1,1′-Biphenyl, 4-methyl-
  • 4-Methyl-1,1′-biphenyl
  • 4-Methylbiphenyl
  • 4-Methyldiphenyl
  • p-Methylbiphenyl
  • p-Methyldiphenyl
  • p-Phenyltoluene
  • 4-Phenyltoluene
  • (4-Methylphenyl)benzene
  • NSC 407669
  • p-Methylphenyl benzene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

1-methyl-4-phenylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:644-08-6
Pubchem (cid):12566
Pubchem (sid):134976595
Publications by US Patents
3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
Publications by PubMed
Volatile hydrocarbons inhibit methanogenic crude oil degradation.
Chlorido[2-({[2-(diphenyl-phosphan-yl)-benzyl-idene]amino}-meth-yl)thio-phene-κN,P]methyl-palladium(II).
Determination of aromatic and polycyclic aromatic hydrocarbons in gasoline using programmed temperature vaporization-gas chromatography-mass spectrometry.
Active core structure of terfestatin A, a new specific inhibitor of auxin signaling.
Receptors mediating tachykinin-evoked depolarisations of neurons in the neonatal rat spinal cord.
Effects of RP 67580, a tachykinin NK1 receptor antagonist, on a primary afferent-evoked response of ventral roots in the neonatal rat spinal cord.
A novel antagonist, phenylbenzene omega-phosphono-alpha-amino acid, for strychnine-sensitive glycine receptors in the rat spinal cord.
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.
Complete template-directed enzymatic synthesis of a potential antisense DNA containing 42 methylphosphonodiester bonds.
Differences in the effects of tachykinin NK1 receptor antagonists: neuronal versus smooth muscle tissues.
Non-peptide antagonists, CP-96,345 and RP 67580, distinguish species variants in tachykinin NK1 receptors.
Effects of ortho-methyl substituents on the mutagenicity of aminobiphenyls and aminonaphthalenes.

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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.23864746094
Melting Point 49 to 50°C @ 760 mm Hg
Boiling Point 267 to 268°C @ 760 mm Hg
Boiling Point 134 to 136°C @ 15 mm Hg
Vapor Pressure 0.013 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 4.63
Solubility
alcohol Yes
water, 6.968 mg/L @ 25 °C (est) Yes
water, 4.05 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Spicy
floral, spicy, wintergreen, anise, waxy, minty, tarragon, cooling
General comment At 1.00 % in dipropylene glycol. floral spicy wintergreen anise waxy mint
Mosciano, Gerard P&F 21, No. 3, 51, (1996) Floral, spicy, wintergreen, estragole and waxy with cooling, minty nuances
Flavor Type: Spicy
grape, fig, spicy, tarragon, fennel, floral, wintergreen
General comment Grape fig
Mosciano, Gerard P&F 21, No. 3, 51, (1996) At 12.00 ppm. Spicy, estragole, fennel, floral and wintergreen

Potential Uses

Applications
Flavoring purposes Chocolate, Herbal, Licorice, Mint, Wintergreen

Safety Information

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
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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations: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