4-methyl biphenyl

4-methylbiphenyl

CAS: 644-08-6 C13 H12 MW: 168.23864000 spicy spicy

Identification

Name4-methyl biphenyl
IUPAC1-methyl-4-phenylbenzene
CAS Number644-08-6
EINECS211-409-0
FDA UNII13J700766D
Molecular FormulaC13 H12
Molecular Weight168.23864000
MDL NumberMFCD00008544
Nikkaji NumberJ36.116J
Beilstein1904468
CoE Number2292
XlogP34.60 (est)

Regulatory

JECFA Food Flavoring1334 4-methylbiphenyl
FEMA Number3186
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)644-08-6 ; 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, 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
Insoluble in water

Organoleptic Properties

Odor Description
at 1.00 % in dipropylene glycol.
Floral, spicy, wintergreen, estragole and waxy with cooling, minty nuances
Taste Description
grape fig
at 12.00 ppm.

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityoral-rat LD50 2570 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for 4-methyl biphenyl usage levels up tonot 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 Concern90 (μg/person/day)
Structure ClassIII
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
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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Potential Uses

FL chocolate FL herbal FL licorice FL mint FL wintergreen

Natural Occurrence

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- 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-κN,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.