isobutyl salicylate
 
Notes:
Blends well with balsams, herb and wood notes. Flavouring agent with orchid/wintergreen odour and bitter taste
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Fragrance Demo Formulas
2-methylpropyl 2-hydroxybenzoate (Click)
CAS Number: 87-19-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 201-729-9
FDA UNII:S122C080GX
Nikkaji Web: J36.460F
Beilstein Number: 2615955
MDL: MFCD00020035
FEMA Number: 2213
CoE Number: 434
XlogP3: 3.90 (est)
Molecular Weight: 194.23018000
Formula: C11 H14 O3
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
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
JECFA Food Flavoring: 902  isobutyl salicylate
Flavis Number: 09.750 (Old)
DG SANTE Food Flavourings: 09.750  isobutyl salicylate
FEMA Number: 2213  isobutyl salicylate
FDA Mainterm: ISOBUTYL SALICYLATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: Yes
Specific Gravity: 1.03600 to 1.06600 @  25.00 °C.
Pounds per Gallon - (est).: 8.621 to  8.870
Refractive Index: 1.50800 to 1.51000 @  20.00 °C.
Melting Point: 5.90 to  6.00 °C. @ 760.00 mm Hg
Boiling Point: 260.00 to  262.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.006000 mm/Hg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 4.000
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 fixed oils
 water, 67.83 mg/L @ 25 °C (est)
Insoluble in:
 water
 glycerin
Stability:
 non-discoloring in most media
Similar Items: note
allyl salicylate
amyl salicylate
isoamyl salicylate
benzyl salicylate
bornyl salicylate
butyl salicylate
cinnamyl salicylate
ortho-cresyl salicylate
para-cresyl salicylate
cyclohexyl salicylate
decyl salicylate
2-ethyl hexyl salicylate
ethyl salicylate
heptyl salicylate
(E)-2-hexen-1-yl salicylate
(Z)-3-hexen-1-yl salicylate
hexyl salicylate
menthyl salicylate
homomenthyl salicylate
2-methyl butyl 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: floral
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
clover herbal orchid floral
Substantivity: 48 hour(s) at 100.00 %
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety Information:
Most important hazard(s):
Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Human Experience: 10 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
  oral-rat LD50  1560 mg/kg
(Moreno, 1973aa)

oral-mouse LD50  5100 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 813, 1975.

oral-mouse LD50  5100 mg/kg
Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.

oral-rat LD50  1560 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 813, 1975.

Dermal Toxicity:
  skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 813, 1975.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
maximum skin levels for fine fragrances:
  0.8100 %  and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002)
Recommendation for isobutyl salicylate usage levels up to:
  2.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
  0.1680 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0043 mg/kg/day (IFRA, 2002)
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 6.00 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -3.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.80000
fruit ices: -1.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.60000
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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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of hydroxyl- and alkoxy-substituted benzyl derivatives used as flavor ingredients.View pdf
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 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
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
EPI System: View
NLM Developmental and Reproductive Toxicity: Search
EPA Substance Registry Services (TSCA): 87-19-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6873
National Institute of Allergy and Infectious Diseases: Data
WGK Germany:3
 2-methylpropyl 2-hydroxybenzoate
Chemidplus: 0000087194
RTECS: VO4320000 for cas# 87-19-4
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References:
 2-methylpropyl 2-hydroxybenzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 87-19-4
Pubchem (cid): 6873
Pubchem (sid): 135269849
Pherobase: View
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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
FDA Everything Added to Food in the United States (EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB36432
FooDB: FDB015319
Export Tariff Code: 2918.23.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
10-undecenal (aldehyde C-11 undecylenic)FL/FR
amber
 cistus ladaniferus resinoidFR
animal
para-cresyl caprylateFL/FR
anisic
para-anisaldehydeFL/FR
balsamic
isoamyl benzoateFL/FR
isoamyl cinnamateFL/FR
 amyl cinnamateFL/FR
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
alpha-bisaboleneFL/FR
isobutyl benzoateFL/FR
 clover nitrileFR
 fir balsam absoluteFR
 guaiacyl phenyl acetateFL/FR
alpha-methyl cinnamyl alcoholFR
3-phenyl propyl alcoholFL/FR
 terpinyl cinnamateFL/FR
earthy
 dibenzyl etherFL/FR
floral
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamyl acetateFL/FR
 amyl salicylateFL/FR
isoamyl salicylateFL/FR
 butyl salicylateFL/FR
 cardamom absoluteFL/FR
 carnation concreteFR
 cassie absoluteFL/FR
 cestrum nocturnum flower oilFR
 coffee flower absoluteFR
 coriander seed oilFL/FR
para-cresyl acetateFL/FR
 daffodil fragranceFR
beta-damascenoneFL/FR
 dihydrojasmoneFL/FR
2-ethyl hexyl salicylateFR
isoeugenyl ethyl acetalFR
 floral pyranolFR
 geranium oil bourbonFL/FR
 ginger lily fragranceFR
 hawthorn specialtyFR
 heliotropyl acetoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 jasmin absolute italy (from concrete)FL/FR
 jonquil absolute replacerFR
ortho-methoxybenzyl ethyl etherFR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 nerolidolFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 propyl salicylateFR
 rhodinolFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose butanoateFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 rose oil replacerFR
 tuberose absolute chassisFL/FR
 tuberose absolute replacerFR
 ylang ylang flower absoluteFL/FR
fruity
 ethyl isovalerateFL/FR
 marigold absolute (tagetes glandulifera)FR
green
alpha-allyl-4,6-dimethyl-3-cyclohexene-1-methanyl acetate 
 dodecanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
 marigold pot absoluteFL/FR
 marigold pot flowerCS
(E)-2-pentenalFL/FR
 phenyl acetaldehydeFL/FR
herbal
 agate fragranceFR
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 coriander seed absoluteFL/FR
american elder flower absoluteFR
 hexyl salicylateFL/FR
 lavender absolute bulgariaFL/FR
 rose oil (rosa centifolia) moroccoFL/FR
medicinal
meta-dimethyl hydroquinoneFL/FR
melon
 watermelon ketoneFR
minty
 ethyl salicylateFL/FR
homomenthyl acetateFL/FR
mossy
 veramoss (IFF)FR
musk
 musk indanoneFR
spicy
 acacia fragranceFR
homoanisaldehydeFL/FR
para-anisyl formateFL/FR
 cananga leaf oilFR
 carnation absolute replacerFR
 cassia bark oil chinaFL/FR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
(E)-cinnamyl acetateFL/FR
 cinnamyl acetateFL/FR
(Z)-cinnamyl acetateFL/FR
 cinnamyl propionateFL/FR
 clove bud oilFL/FR
isoeugenyl acetateFL/FR
 floral spice fragranceFR
star jasmine specialtyFL/FR
 laurus nobilis leaf oil turkeyFL/FR
 mace oleoresinFL/FR
 maja fragranceFR
para-methoxy-alpha-methyl cinnamaldehydeFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
 pimenta acris leaf oilFL/FR
 spicy acetoacetateFL/FR
tonka
 coumarinFR
 tonka bean absoluteFR
woody
 cedarwood oil virginiaFR
 methyl cedryl ketoneFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 rhubarb oxiraneFR
 santallFR
 spicy pentanoneFL/FR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
alpha-allyl-4,6-dimethyl-3-cyclohexene-1-methanyl acetate 
homoanisaldehydeFL/FR
alpha-bisaboleneFL/FR
 butyl salicylateFL/FR
(E)-cinnamyl acetateFL/FR
(Z)-cinnamyl acetateFL/FR
para-cresyl caprylateFL/FR
2-heptyl cyclopropane carboxylic acidFL
 hexyl salicylateFL/FR
star jasmine specialtyFL/FR
 laurus nobilis leaf oil turkeyFL/FR
para-methoxy-alpha-methyl cinnamaldehydeFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
aromatic
 amyl salicylateFL/FR
para-cresyl acetateFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
berry
 heliotropyl acetoneFL/FR
chemical
meta-dimethyl hydroquinoneFL/FR
cooling
homomenthyl acetateFL/FR
creamy
para-anisaldehydeFL/FR
earthy
alpha-amyl cinnamyl acetateFL/FR
 panax quinquefolius root extractFL
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
isoamyl cinnamateFL/FR
 cardamom absoluteFL/FR
 cinnamyl propionateFL/FR
 dihydrojasmoneFL/FR
 geranium oil bourbonFL/FR
 jasmin absolute italy (from concrete)FL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 tuberose absolute chassisFL/FR
 ylang ylang flower absoluteFL/FR
fruity
isoamyl benzoateFL/FR
 amyl cinnamateFL/FR
isobutyl benzoateFL/FR
 dibenzyl etherFL/FR
 ethyl isovalerateFL/FR
 rose butanoateFL/FR
 spicy pentanoneFL/FR
 terpinyl cinnamateFL/FR
green
isoamyl salicylateFL/FR
 dodecanal dimethyl acetalFL/FR
 marigold pot absoluteFL/FR
 nerolidolFL/FR
(E)-2-pentenalFL/FR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
 lavender absolute bulgariaFL/FR
 rose oil (rosa centifolia) moroccoFL/FR
honey
 phenyl acetaldehydeFL/FR
minty
 ethyl salicylateFL/FR
phenolic
 guaiacyl phenyl acetateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cassia bark oil chinaFL/FR
 cassie absoluteFL/FR
 cinnamyl acetateFL/FR
 clove bud oilFL/FR
isoeugenyl acetateFL/FR
 mace oleoresinFL/FR
4-methyl biphenylFL
3-phenyl propyl alcoholFL/FR
 pimenta acris leaf oilFL/FR
 spicy acetoacetateFL/FR
tea
red rooibos tea leaf distillatesFL
tropical
alpha-amyl cinnamaldehydeFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
woody
 amyris wood oilFL/FR
beta-damascenoneFL/FR
 methyl cedryl ketoneFL/FR
 patchouli oilFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 acacia cassie farnesianaFR
 aimant 
 ambrosia 
 aniseFR
 balsamFR
 blackberryFR
 camelia 
 carnation dianthus oeilletFR
 cherryFR
 clary sageFL/FR
 clover trefle le'trefle incarnatFR
 currantFR
 fern fougereFR
 leatherFR
 modifier 
 mulberryFR
 orchidFR
 orientalFR
 peachFR
 poppy redFR
 presence 
 raspberryFR
 root beerFR
 strawberryFR
 tuberoseFR
 valerianFL/FR
 wallflowerFR
 wintergreenFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 ligustrum sinense flower
Search Trop  Picture
 magnolia
Search  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 benzoic acid, 2-hydroxy-, 2-methylpropyl ester
2-isobutoxycarbonyl phenol
2-isobutoxycarbonylphenol
isobutyl 2-hydroxybenzoate
isobutyl o-hydroxybenzoate
isobutyl ortho-hydroxybenzoate
isobutyl salicylate FCC
isobutylsalicylate
2-hydroxybenzoic acid 2-methyl propyl ester
2-hydroxybenzoic acid 2-methylpropyl ester
2-hydroxybenzoic acid isobutyl ester
2-methyl propyl 2-hydroxybenzoate
2-methyl propyl o-hydroxybenzoate
2-methyl propyl ortho-hydroxybenzoate
2-methyl-1-propyl salicylate
2-methylpropyl 2-hydroxybenzoate
2-methylpropyl o-hydroxybenzoate
 salicylic acid isobutyl ester
 salicylic acid, isobutyl ester
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