methyl 5-methyl salicylate
petunial
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      22717-57-3 Methyl 5-methylsalicylate
       
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      M1353 Methyl 5-methylsalicylate >96.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 22717-57-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 245-173-5
FDA UNII: 8GMK8QL99V
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, Edge 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
PubMed: Search
NCBI: Search
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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 mmHg @ 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
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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).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Methyl 5-methylsalicylate
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)
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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
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Safety in Use Information:
Category: fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for methyl 5-methyl salicylate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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References:
 methyl 2-hydroxy-5-methylbenzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 22717-57-3
Pubchem (cid): 89802
Pubchem (sid): 135045797
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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
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2918.29.7500
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
almond
bitter almond oil replacerFL/FR
balsamic
 benzyl cinnamateFL/FR
 methyl cinnamateFL/FR
berry
wild berry fragranceFR
chocolate
 chocolate cherry fragranceFR
floral
 citronellal diisotridecyl acetalFR
 stephanotis flower absolute replacerFR
para-tolualdehyde propylene glycol acetalFL/FR
fruity
 almond fragranceFR
bitter almond oilFL/FR
 almond specialtyFR
 benzaldehyde / methyl anthranilate schiff's baseFR
 cherry fragranceFR
wild cherry fragranceFR
black cherry fragranceFR
sour cherry fragranceFR
 cherry propanolFL/FR
4-ethyl benzaldehydeFL/FR
para-tolualdehydeFL/FR
meta-tolualdehydeFL/FR
 tolualdehyde glyceryl acetalFL/FR
 vanilla carboxylateFL/FR
green
(Z)-2-penten-1-olFL/FR
mentholic
 menthyl acetateFL/FR
 menthyl acetate racemicFL/FR
minty
 carvyl propionateFL/FR
spicy
 cinnamyl propionateFL/FR
 clove bud oilFL/FR
 clove bud oil replacerFR
 
For Flavor
 
No flavor group found for these
4-ethyl benzaldehydeFL/FR
 menthyl acetate racemicFL/FR
 tolualdehyde glyceryl acetalFL/FR
para-tolualdehyde propylene glycol acetalFL/FR
almond
bitter almond oil replacerFL/FR
cooling
 menthyl acetateFL/FR
floral
 cinnamyl propionateFL/FR
fruity
bitter almond oilFL/FR
 cherry propanolFL/FR
meta-tolualdehydeFL/FR
 vanilla carboxylateFL/FR
green
(Z)-2-penten-1-olFL/FR
minty
 carvyl propionateFL/FR
spicy
 benzyl cinnamateFL/FR
 clove bud oilFL/FR
 methyl cinnamateFL/FR
para-tolualdehydeFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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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
Synonyms   Articles   Notes   Search   Top
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.
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