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

methyl 4-methyl benzoate
benzoic acid, 4-methyl-, methyl ester

Sponsors

CAS Number: 99-75-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-784-1
FDA UNII:964JP0ZZRG
Nikkaji Web:J45.106A
Beilstein Number:1100609
MDL:MFCD00008441
XlogP3:2.70 (est)
Molecular Weight:150.17710000
Formula:C9 H10 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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
FLAVIS Number:09.631 (Old)
DG SANTE Food Flavourings:09.631 methyl 4-methylbenzoate
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 33.00 °C. @ 760.00 mm Hg
Boiling Point: 421.00 °C. @ 760.00 mm Hg
Boiling Point: 103.00 to 104.00 °C. @ 15.00 mm Hg
Vapor Pressure:0.101000 mm/Hg @ 25.00 °C. (est)
Vapor Density:4.7 ( Air = 1 )
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 2.700
Soluble in:
 alcohol
 water, 374.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: anisic
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
sweet anisic floral ylang
Odor Description:at 100.00 %. sweet anisic floral ylang
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl 4-methylbenzoate > 95%
EMD Millipore
For experimental / research use only.
Methyl 4-methylbenzoate
Penta International
METHYL-P-METHYLBENZOATE
Santa Cruz Biotechnology
For experimental / research use only.
Methyl p-toluate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl p-toluate ≥99%
Synerzine
Methyl p-toluate
TCI AMERICA
For experimental / research use only.
Methyl p-Toluate >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:
intraperitoneal-mouse LD50 1250 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982.

oral-rat LD50 3300 mg/kg
(Moreno, 1977aa)

gavage-rat LD50 [sex: M] 2987 mg/kg
(Dashiell & Hinckle, 1981)

oral-mammal (species unspecified) LD50 3800 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.

oral-mouse LD50 3800 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982.

oral-rat LD50 3300 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 873, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 873, 1979.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):99-75-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7455
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
methyl 4-methylbenzoate
Chemidplus:0000099752
EPA/NOAA CAMEO:hazardous materials
RTECS:XU2150000 for cas# 99-75-2
 
References:
 methyl 4-methylbenzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:99-75-2
Pubchem (cid):7455
Pubchem (sid):134972054
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.39.7900
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
ethyl 4-methyl salicylate
FL/FR
anisic
sweet
basil flower oil
FR
3-
pentyl bicyclo[3.2.1]octan-2-one
FR
floral
para-
anisyl butyrate
FL/FR
ethyl ortho-anisate
FL/FR
hawthorn acetate
FR
linalool residues
FR
linalyl acetate terpenes
FR
tuberose acetate
FR
fruity
ginsene
FR
herbal
american
elder flower absolute
FR
phenolic
methyl benzoate
FL/FR
spicy
homo
anisaldehyde
FL/FR
For Flavor
No flavor group found for these
homo
anisaldehyde
FL/FR
ethyl 4-methyl salicylate
FL/FR
ethyl ortho-anisate
FL/FR
anisic
anisic
para-
anisyl butyrate
FL/FR
phenolic
methyl benzoate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 loganberry fruit
Search Trop Picture
 ternstroemia gymnanthera
Search Trop Picture
 
Synonyms:
 benzoic acid, 4-methyl-, methyl ester
p-carbomethoxytoluene
para-carbomethoxytoluene
4-(methoxycarbonyl) toluene
4-(methoxycarbonyl)toluene
 methyl 4-methyl benzoate
 methyl 4-methylbenzoate
 methyl 4-toluate
4-methyl benzoic acid methyl ester
 methyl p-methyl benzoate
 methyl p-methylbenzoate
 methyl p-toluate
 methyl p-toluene carboxylate
 methyl p-toluenecarboxylate
 methyl para-methyl benzoate
 methyl para-methylbenzoate
 methyl para-toluate
 methyl para-toluene carboxylate
 methyl para-toluenecarboxylate
 methyl-p-toluate
4-methylbenzoic acid methyl ester
p-toluic acid methyl ester
p-toluic acid, methyl ester
 
 
Notes:
None found
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