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

methyl 5-methyl salicylate
petunial

Supplier Sponsors

Name:methyl 2-hydroxy-5-methylbenzoate
CAS Number: 22717-57-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:245-173-5
Nikkaji Web:J286.282D
MDL:MFCD00016485
XlogP3:3.10 (est)
Molecular Weight:166.17630000
Formula:C9 H10 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category: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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: -1.00 °C. @ 760.00 mm Hg
Boiling Point: 244.50 °C. @ 760.00 mm Hg
Vapor Pressure:0.022000 mm/Hg @ 25.00 °C. (est)
Flash Point: 209.00 °F. TCC ( 98.50 °C. ) (est)
logP (o/w): 3.157 (est)
Soluble in:
 alcohol
 water, 496.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: minty
minty fruity cherry leathery
Odor Description:at 100.00 %. minty fruity cherry leathery
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Matrix Scientific
For experimental / research use only.
Methyl 2-hydroxy-5-methylbenzoate, 99%
PerfumersWorld
Petunial Rhodia
Odor: fresh minty fruity cherry leather
Use: Blends-well-with - +ionones
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 5-methylsalicylate 96%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 5-methylsalicylate 96%
TCI AMERICA
For experimental / research use only.
Methyl 5-methylsalicylate >96.0%(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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
 
Recommendation for methyl 5-methyl salicylate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):22717-57-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :89802
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
methyl 2-hydroxy-5-methylbenzoate
Chemidplus:0022717573
 
References:
 methyl 2-hydroxy-5-methylbenzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22717-57-3
Pubchem (cid):89802
Pubchem (sid):135045797
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2918.29.7500
ChemSpider:View
 
Potential Blenders and core components note
For Odor
almond
bitter
almond oil replacer
FL/FR
balsamic
benzyl cinnamate
FL/FR
methyl cinnamate
FL/FR
berry
wild
berry fragrance
FR
chocolate
chocolate cherry fragrance
FR
floral
citronellal diisotridecyl acetal
FR
stephanotis flower absolute replacer
FR
para-
tolualdehyde propylene glycol acetal
FL/FR
fruity
almond fragrance
FR
bitter
almond oil
FL/FR
almond specialty
FR
benzaldehyde / methyl anthranilate schiff's base
FR
cherry fragrance
FR
black
cherry fragrance
FR
sour
cherry fragrance
FR
wild
cherry fragrance
FR
cherry propanol
FL/FR
4-
ethyl benzaldehyde
FL/FR
meta-
tolualdehyde
FL/FR
para-
tolualdehyde
FL/FR
tolualdehyde glyceryl acetal
FL/FR
vanilla carboxylate
FL/FR
green
(Z)-2-
penten-1-ol
FL/FR
mentholic
menthyl acetate
FL/FR
menthyl acetate racemic
FL/FR
minty
carvyl propionate
FL/FR
spicy
cinnamyl propionate
FL/FR
clove bud oil
FL/FR
clove bud oil replacer
FR
For Flavor
No flavor group found for these
carvyl propionate
FL/FR
4-
ethyl benzaldehyde
FL/FR
menthyl acetate racemic
FL/FR
tolualdehyde glyceryl acetal
FL/FR
para-
tolualdehyde propylene glycol acetal
FL/FR
almond
almond
bitter
almond oil replacer
FL/FR
cooling
menthyl acetate
FL/FR
floral
cinnamyl propionate
FL/FR
fruity
bitter
almond oil
FL/FR
cherry propanol
FL/FR
meta-
tolualdehyde
FL/FR
vanilla carboxylate
FL/FR
green
(Z)-2-
penten-1-ol
FL/FR
spicy
benzyl cinnamate
FL/FR
clove bud oil
FL/FR
methyl cinnamate
FL/FR
para-
tolualdehyde
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzoic acid, 2-hydroxy-5-methyl-, methyl ester
2,5-cresotic acid methyl ester
2,5-cresotic acid, methyl ester
 methyl 2-hydroxy-5-methylbenzoate
 methyl 5-methylsalicylate
 methyl 6-hydroxy-m-toluate
 methyl 6-hydroxy-meta-toluate
 methyl-5-methyl salicylate
 methyl-5-methylsalicylate
5-methylsalicylic acid methyl ester
 petunial
 

Articles:

PubMed:Preparation of polypyrrole composite solid-phase microextraction fiber coatings by sol-gel technique for the trace analysis of polar biological volatile organic compounds.
PubMed:Quantitative correlation of counterion (X) affinity to ionic micelles and X- and temperature-induced micellar growth (spherical-wormlike micelles-vesicles) for X = 5-methyl- and 5-methoxysalicylate ions.
PubMed:Salicylate 5-hydroxylase from Ralstonia sp. strain U2: a monooxygenase with close relationships to and shared electron transport proteins with naphthalene dioxygenase.
 
Notes:
None found
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