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

isobutyl salicylate
salicylic acid, isobutyl ester

Sponsors

Fragrance Demo Formulas
Name:2-methylpropyl 2-hydroxybenzoate
CAS Number: 87-19-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-729-9
FDA UNII:S122C080GX
Nikkaji Web:J36.460F
Beilstein Number:2615955
MDL:MFCD00020035
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
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:No longer provide for the use of these seven synthetic flavoring substances
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.
 
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 °C. @ 760.00 mm Hg
Boiling Point: 261.00 °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:
 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
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:48 hour(s) at 100.00 %
clover herbal orchid floral
Odor Description:at 10.00 % in dipropylene glycol. clover herbal orchid floral
Luebke, William tgsc, (1989)
Odor sample from: Fragrance Resources Inc.
sweet spicy cooling wintergreen
Odor Description:Sweet, spice, cooling, with a wintergreen nuance
Mosciano, Gerard P&F 17, No. 4, 33, (1992)
Flavor Type: cooling
sweet cooling spicy fruity
Taste Description: at 3.00 ppm. Sweet, cooling, spicy with fruity nuances
Mosciano, Gerard P&F 17, No. 4, 33, (1992)
Odor and/or flavor descriptions from others (if found).
Symrise
Isobutyl salicylate
Odor Description:wintergreen-like, sweet herbaceous-green, slightly floral, with orchid-like nuances
Taste Description:sweet cooling spicy fruity
Moellhausen
isoBUTYL SALICYLATE
Odor Description:aromatic, herbaceous, floreal
Taste Description:sweet aromatic; cooling, spicy with fruity nuances
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Berjé
isoButyl Salicylate
Happening at Berje
BOC Sciences
For experimental / research use only.
isoButyl Salicylate
CG Herbals
isoButyl Salicylate
Ernesto Ventós
IsoBUTYL SALICYLATE
Odor: SWEET, HARSH, HERBAL, FLORAL
Global Essence
isoButyl Salicylate
Indukern F&F
ISOBUTYL SALICYLATE
Odor: SWEET, HERBAL, FLORAL
Keva
ISOBUTYL SALICYLATE
Liaison Carbone
isoBUTYL SALICYLATE
Lluch Essence
isoBUTYL SALICYLATE
M&U International
isoBUTYL SALICYLATE
Moellhausen
isoBUTYL SALICYLATE
Odor: aromatic, herbaceous, floreal
Flavor: sweet aromatic; cooling, spicy with fruity nuances
PCAS
isoButyl Salicylate, Kosher
Penta International
ISOBUTYL SALICYLATE FCC, Kosher
PerfumersWorld
isoButyl Salicylate
Reincke & Fichtner
isoButyl Salicylate
Sigma-Aldrich
Isobutyl salicylate, ≥98%, FCC
Certified Food Grade Products
Symrise
Isobutyl salicylate
Odor: wintergreen-like, sweet herbaceous-green, slightly floral, with orchid-like nuances
Synerzine
isoButyl Salicylate
TCI AMERICA
For experimental / research use only.
isoButyl Salicylate >99.0%(GC)
The Good Scents Company
isobutyl salicylate
Odor: clover herbal orchid floral
The John D. Walsh Company
IsoButyl Salicylate
The Perfumers Apprentice
isoButyl Salicylate
Odor: sweet, spice, cooling, with a wintergreen nuance
Use: useful in many types of soft floral and herbal fragrances
Vigon International
isoButyl Salicylate FCC
Odor: CLOVE-ORCHID
 
Safety Information:
Preferred SDS: View
European 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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
 
Pictogramexclamation-mark.jpg
 
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
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
 
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
 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: --
 
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 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
 
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
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
amber
cistus ladaniferus resinoid
FR
animal
para-
cresyl caprylate
FL/FR
anisic
para-
anisaldehyde
FL/FR
balsamic
iso
amyl benzoate
FL/FR
iso
amyl cinnamate
FL/FR
amyl cinnamate
FL/FR
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl cinnamate
FL/FR
benzyl salicylate
FL/FR
alpha-
bisabolene
FL/FR
iso
butyl benzoate
FL/FR
clover nitrile
FR
fir balsam absolute
FR
guaiacyl phenyl acetate
FL/FR
alpha-
methyl cinnamyl alcohol
FR
3-
phenyl propyl alcohol
FL/FR
terpinyl cinnamate
FL/FR
earthy
dibenzyl ether
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
alpha-
amyl cinnamyl acetate
FL/FR
amyl salicylate
FL/FR
iso
amyl salicylate
FL/FR
butyl salicylate
FL/FR
cardamom absolute
FL/FR
carnation concrete
FR
cassie absolute
FL/FR
cestrum nocturnum flower oil
FR
coffee flower absolute
FR
coriander seed oil
FL/FR
para-
cresyl acetate
FL/FR
daffodil fragrance
FR
beta-
damascenone
FL/FR
dihydrojasmone
FL/FR
2-
ethyl hexyl salicylate
FR
iso
eugenyl ethyl acetal
FR
floral pyranol
FR
geranium oil bourbon
FL/FR
ginger lily fragrance
FR
hawthorn specialty
FR
heliotropyl acetone
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
jasmin absolute italy (from concrete)
FL/FR
jonquil absolute replacer
FR
ortho-
methoxybenzyl ethyl ether
FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
nerolidol
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
propyl salicylate
FR
rhodinol
FL/FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose butanoate
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
rose oil replacer
FR
tuberose absolute chassis
FL/FR
tuberose absolute replacer
FR
ylang ylang flower absolute
FL/FR
fruity
ethyl isovalerate
FL/FR
marigold absolute (tagetes glandulifera)
FR
green
dodecanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
marigold pot absolute
FL/FR
marigold pot flower
CS
(E)-2-
pentenal
FL/FR
phenyl acetaldehyde
FL/FR
herbal
agate fragrance
FR
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
coriander seed absolute
FL/FR
american
elder flower absolute
FR
hexyl salicylate
FL/FR
lavender absolute bulgaria
FL/FR
rose oil (rosa centifolia) morocco
FL/FR
medicinal
meta-
dimethyl hydroquinone
FL/FR
melon
watermelon ketone
FR
minty
ethyl salicylate
FL/FR
homo
menthyl acetate
FL/FR
mossy
veramoss (IFF)
FR
musk
musk indanone
FR
spicy
acacia fragrance
FR
homo
anisaldehyde
FL/FR
para-
anisyl formate
FL/FR
cananga leaf oil
FR
carnation absolute replacer
FR
cassia bark oil china
FL/FR
cinnamaldehyde / methyl anthranilate schiff's base
FR
(Z)-
cinnamyl acetate
FL/FR
cinnamyl acetate
FL/FR
(E)-
cinnamyl acetate
FL/FR
cinnamyl propionate
FL/FR
clove bud oil
FL/FR
iso
eugenyl acetate
FL/FR
floral spice fragrance
FR
laurus nobilis leaf oil turkey
FL/FR
mace oleoresin
FL/FR
maja fragrance
FR
para-
methoxy-alpha-methyl cinnamaldehyde
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
pimenta acris leaf oil
FL/FR
spicy acetoacetate
FL/FR
tonka
coumarin
FR
tonka bean absolute
FR
woody
cedarwood oil virginia
FR
methyl cedryl ketone
FL/FR
patchouli ethanone
FR
patchouli oil
FL/FR
rhubarb oxirane
FR
santall
FR
spicy pentanone
FL/FR
woody acetate
FR
For Flavor
No flavor group found for these
homo
anisaldehyde
FL/FR
alpha-
bisabolene
FL/FR
butyl salicylate
FL/FR
(E)-
cinnamyl acetate
FL/FR
(Z)-
cinnamyl acetate
FL/FR
2-
heptyl cyclopropane carboxylic acid
FL
laurus nobilis leaf oil turkey
FL/FR
para-
methoxy-alpha-methyl cinnamaldehyde
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
animal
animal
para-
cresyl caprylate
FL/FR
aromatic
amyl salicylate
FL/FR
para-
cresyl acetate
FL/FR
balsamic
amyl cinnamate
FL/FR
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
berry
heliotropyl acetone
FL/FR
chemical
meta-
dimethyl hydroquinone
FL/FR
cooling
homo
menthyl acetate
FL/FR
creamy
para-
anisaldehyde
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
panax quinquefolius root extract
FL
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
iso
amyl cinnamate
FL/FR
cardamom absolute
FL/FR
cinnamyl propionate
FL/FR
dihydrojasmone
FL/FR
geranium oil bourbon
FL/FR
jasmin absolute italy (from concrete)
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
rhodinol
FL/FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
tuberose absolute chassis
FL/FR
ylang ylang flower absolute
FL/FR
fruity
iso
amyl benzoate
FL/FR
iso
butyl benzoate
FL/FR
dibenzyl ether
FL/FR
ethyl isovalerate
FL/FR
rose butanoate
FL/FR
spicy pentanone
FL/FR
terpinyl cinnamate
FL/FR
green
iso
amyl salicylate
FL/FR
dodecanal dimethyl acetal
FL/FR
marigold pot absolute
FL/FR
nerolidol
FL/FR
(E)-2-
pentenal
FL/FR
herbal
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
coriander seed absolute
FL/FR
coriander seed oil
FL/FR
hexyl salicylate
FL/FR
lavender absolute bulgaria
FL/FR
rose oil (rosa centifolia) morocco
FL/FR
honey
phenyl acetaldehyde
FL/FR
minty
ethyl salicylate
FL/FR
phenolic
guaiacyl phenyl acetate
FL/FR
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cassia bark oil china
FL/FR
cassie absolute
FL/FR
cinnamyl acetate
FL/FR
clove bud oil
FL/FR
iso
eugenyl acetate
FL/FR
mace oleoresin
FL/FR
4-
methyl biphenyl
FL
3-
phenyl propyl alcohol
FL/FR
pimenta acris leaf oil
FL/FR
spicy acetoacetate
FL/FR
tea
red rooibos
tea leaf distillates
FL
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
woody
amyris wood oil
FL/FR
beta-
damascenone
FL/FR
methyl cedryl ketone
FL/FR
patchouli oil
FL/FR
 
Potential Uses:
FRacacia
 aimant
 ambrosia
FRanise
FRbalsam
FRblackberry
FRcamellia
FRcarnation
FRcherry
FRclary sage oil replacer
FRclover
FRcurrant
FRfern
FRleather
 modifier
FRmulberry
FRorchid
FRoriental
FRpeach
FRpoppy red poppy
 presence
FRraspberry
FRroot beer
FRstrawberry
FRtuberose
FL/FRvalerian
FRwallflower
FRwintergreen
 
Occurrence (nature, food, other):note
 ligustrum sinense flower
Search Trop Picture
 magnolia
Search PMC Picture
 
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
 
 
Notes:
Blends well with balsams, herb and wood notes. Flavouring agent with orchid/wintergreen odour and bitter taste
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