2-methyl butyl salicylate
2-hydroxybenzoic acid 2-methylbutyl ester
 
Notes:
None found
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2-methylbutyl 2-hydroxybenzoate (Click)
CAS Number: 51115-63-0Picture of molecule
ECHA EINECS - REACH Pre-Reg: 256-972-3
Nikkaji Web: J261.642D
XlogP3: 4.30 (est)
Molecular Weight: 208.25712000
Formula: C12 H16 O3
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate.
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Perfumer and Flavorist: Search
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US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
Flavis Number: 09.852 (Old)
DG SANTE Food Flavourings: 09.852  2-methylbutyl 2-hydroxybenzoate
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 117.00 °C. @ 760.00 mm Hg
Boiling Point: 366.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 229.00 °F. TCC ( 109.44 °C. )
logP (o/w): 4.405 (est)
Soluble in:
 alcohol
 water, 21.89 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl salicylate
amyl salicylate
isoamyl salicylate
benzyl salicylate
bornyl salicylate
butyl salicylate
isobutyl salicylate
cinnamyl salicylate
ortho-cresyl salicylate
para-cresyl salicylate
cyclohexyl salicylate
decyl salicylate
2-ethyl hexyl salicylate
ethyl salicylate
heptyl salicylate
(Z)-3-hexen-1-yl salicylate
hexyl salicylate
menthyl salicylate
homomenthyl salicylate
methyl salicylate
octyl salicylate
phenethyl salicylate
3-phenyl propyl salicylate
phenyl salicylate
prenyl salicylate
propyl salicylate
isopropyl salicylate
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 herbal  woody  orchid  floral  green  balsamic  
Odor Description:
at 100.00 %. 
herbal woody orchid floral green balsamic
 berry  
Taste Description:
berry
  
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Cosmetic Information:
None found
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Suppliers:
Inoue Perfumery
2-METHYLBUTYL SALICYLATE
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Safety Information:
 
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: flavor and fragrance agents
Recommendation for 2-methyl butyl salicylate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.011 (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
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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
EPA Substance Registry Services (TSCA): 51115-63-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 162626
National Institute of Allergy and Infectious Diseases: Data
 2-methylbutyl 2-hydroxybenzoate
Chemidplus: 0051115630
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References:
 2-methylbutyl 2-hydroxybenzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 51115-63-0
Pubchem (cid): 162626
Pubchem (sid): 135117342
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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
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
dextro,laevo-isoborneolFL/FR
isobornyl acetateFL/FR
burnt
 lepidineFL/FR
camphoreous
dextro-camphorFL/FR
citrus
2-heptanolFL/FR
earthy
 octyl phenyl acetateFL/FR
floral
isoamyl salicylateFL/FR
 amyl salicylateFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 coranol (Firmenich)FR
 coriander seed oilFL/FR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
2-ethyl hexyl salicylateFR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ho leaf oilFR
 ho wood oilFR
beta-ionolFL/FR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
laevo-linaloolFL/FR
dextro-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 nonisyl propionateFR
 prenyl salicylateFL/FR
 tetrahydrolinaloolFL/FR
herbal
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
delta-cadinene 
alpha-cadinolFL/FR
 chrysanthemum ketoneFR
 coriander oleoresinFL/FR
 coriander seed absoluteFL/FR
 herbal undecanoneFR
 hexyl salicylateFL/FR
 immortelle flower oilFL/FR
 methyl cyclogeranateFR
 methyl ortho-anisateFL/FR
curled parsley leaf oilFL/FR
 tea leaf absoluteFL/FR
 tricyclodecenyl propionateFR
minty
 pennyroyal oilFL/FR
spicy
 carnation absoluteFR
 cubeb oilFL/FR
black currant bud absoluteFL/FR
thujonic
common tansy flower oil argentinaFL/FR
common tansy leaf oil dutch 
woody
(R)-gamma-cadinene 
(+)-campheneFL/FR
gamma-muurolene 
 
For Flavor
 
No flavor group found for these
dextro,laevo-isoborneolFL/FR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
delta-cadinene 
(R)-gamma-cadinene 
alpha-cadinolFL/FR
(+)-campheneFL/FR
8,9-dehydrotheaspironeFL
 ethyl linalyl etherFL/FR
 hexyl salicylateFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 methyl ortho-anisateFL/FR
gamma-muurolene 
 octyl phenyl acetateFL/FR
common tansy leaf oil dutch 
 tea leaf absoluteFL/FR
aromatic
 amyl salicylateFL/FR
citrus
 linaloolFL/FR
cooling
isobutyl salicylateFL/FR
floral
isoamyl cinnamateFL/FR
 bois de rose oil brazilFL/FR
 dihydrolinaloolFL/FR
beta-ionolFL/FR
 lepidineFL/FR
 linalyl anthranilateFL/FR
 tetrahydrolinaloolFL/FR
fruity
 amyl cinnamateFL/FR
2-heptanolFL/FR
green
isoamyl salicylateFL/FR
 coriander oleoresinFL/FR
 linalool oxideFL/FR
herbal
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
3,6-dimethyl-3-octanolFL/FR
 immortelle flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
curled parsley leaf oilFL/FR
 prenyl salicylateFL/FR
medicinal
dextro-camphorFL/FR
minty
 pennyroyal oilFL/FR
spicy
 cubeb oilFL/FR
black currant bud absoluteFL/FR
thujonic
common tansy flower oil argentinaFL/FR
woody
isobornyl acetateFL/FR
(Z)-jasmoneFL/FR
 
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Potential Uses:
 floralFR
 orchidFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzoic acid, 2-hydroxy-, 2-methylbutyl ester
2-hydroxybenzoic acid 2-methyl butyl ester
2-hydroxybenzoic acid 2-methylbutyl ester
2-methyl butyl 2-hydroxybenzoate
2-methylbutyl 2-hydroxybenzoate
2-methylbutyl salicylate
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Articles:
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