butyl salicylate
 
Notes:
Present in mountain papaya (Carica pubescens). Flavouring agent
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butyl 2-hydroxybenzoate (Click)
CAS Number: 2052-14-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 218-142-9
FDA UNII:QPR9LM8VZO
Nikkaji Web: J36.458D
Beilstein Number: 2208904
MDL: MFCD00020038
FEMA Number: 3650
CoE Number: 614
XlogP3: 4.60 (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: 901  butyl salicylate
Flavis Number: 09.763 (Old)
DG SANTE Food Flavourings: 09.763  butyl salicylate
FEMA Number: 3650  butyl salicylate
FDA Mainterm: BUTYL SALICYLATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.07800 @  25.00 °C.
Refractive Index: 1.51100 @  20.00 °C.
Melting Point: 6.00 °C. @ 760.00 mm Hg
Boiling Point: 268.00 to  271.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.004000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 4.630
Soluble in:
 alcohol
 water, 19.8 mg/L @ 25 °C (exp)
Insoluble in:
 water
Stability:
 non-discoloring in most media
Similar Items: note
allyl salicylate
amyl salicylate
isoamyl salicylate
benzyl salicylate
bornyl salicylate
isobutyl 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. 
harsh clover ethyl benzoate
  
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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.
Oral/Parenteral Toxicity:
  oral-rat LD50  1836 mg/kg
(Levenstein, 1975m)

oral-rat LD50  1700 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 663, 1978.

Dermal Toxicity:
  Not determined
Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
maximum skin levels for fine fragrances:
  0.2000 %  and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).
Recommendation for butyl salicylate usage levels up to:
  0.1000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
  0.0200 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0005 mg/kg/day
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.0007 (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: 12
Click here to view publication 12
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.07000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: --
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: --
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: -1.50000
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
EPA Substance Registry Services (TSCA): 2052-14-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 16330
National Institute of Allergy and Infectious Diseases: Data
WGK Germany:3
 butyl 2-hydroxybenzoate
Chemidplus: 0002052144
RTECS: VO2000000 for cas# 2052-14-4
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References:
 butyl 2-hydroxybenzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2052-14-4
Pubchem (cid): 16330
Pubchem (sid): 135204813
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): HMDB40730
FooDB: FDB020539
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
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 salicylateFL/FR
isobutyl benzoateFL/FR
 clover nitrileFR
 fir balsam absoluteFR
3-phenyl propyl alcoholFL/FR
floral
 amyl anthranilateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyl salicylateFL/FR
isobutyl salicylateFL/FR
 cestrum nocturnum flower absoluteFR
 coriander seed oilFL/FR
 dihydrojasmoneFL/FR
2-ethyl hexyl salicylateFR
 floral pyranolFR
 heliotropyl acetoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 nerolidolFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 propyl salicylateFR
 rose butanoateFL/FR
green
 dodecanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
 phenyl acetaldehydeFL/FR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 hexyl salicylateFL/FR
 lavender absolute bulgariaFL/FR
2-methyl butyl salicylateFL/FR
melon
 watermelon ketoneFR
mossy
 veramoss (IFF)FR
spicy
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
 ethyl isoeugenolFL/FR
isoeugenyl acetateFL/FR
 floral spice fragranceFR
 methyl isoeugenolFL/FR
tonka
 coumarinFR
 tonka bean absoluteFR
woody
 cedarwood oil virginiaFR
 methyl cedryl ketoneFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 santallFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 amyl anthranilateFL/FR
para-cresyl caprylateFL/FR
 hexyl salicylateFL/FR
2-methyl butyl salicylateFL/FR
aromatic
 amyl salicylateFL/FR
balsamic
siam benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
berry
 heliotropyl acetoneFL/FR
burnt
 ethyl 2-furoateFL
cooling
isobutyl salicylateFL/FR
creamy
para-anisaldehydeFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
isoamyl cinnamateFL/FR
 dihydrojasmoneFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
fruity
isoamyl benzoateFL/FR
 amyl cinnamateFL/FR
isobutyl benzoateFL/FR
 rose butanoateFL/FR
green
isoamyl salicylateFL/FR
 dodecanal dimethyl acetalFL/FR
 nerolidolFL/FR
herbal
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 lavender absolute bulgariaFL/FR
honey
 phenyl acetaldehydeFL/FR
spicy
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
 ethyl isoeugenolFL/FR
isoeugenyl acetateFL/FR
 methyl isoeugenolFL/FR
3-phenyl propyl alcoholFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
woody
 amyris wood oilFL/FR
 methyl cedryl ketoneFL/FR
 patchouli oilFL/FR
 
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Potential Uses:
 acacia cassie farnesianaFR
 aniseFR
 balsamFR
 blackberryFR
 carnation dianthus oeilletFR
 cherryFR
 clary sageFL/FR
 clover trefle le'trefle incarnatFR
 currantFR
 fern fougereFR
 leatherFR
 modifier 
 mulberryFR
 orchidFR
 orientalFR
 peachFR
 poppy redFR
 raspberryFR
 root beerFR
 strawberryFR
 tuberoseFR
 valerianFL/FR
 wallflowerFR
 wintergreenFR
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Occurrence (nature, food, other): note
 grape red grape skin
Search  Picture
 papaya mountain papaya
Search Trop  Picture
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Synonyms:
 benzoic acid, hydroxy-, butyl ester
 butyl (2-hydroxyphenyl) formate
 butyl (2-hydroxyphenyl)formate
 butyl 2-hydroxybenzoate
 butyl 2-hydroxyphenyl formate
 butyl o-hydroxybenzoate
N-butyl o-hydroxybenzoate
N-butyl ortho-hydroxybenzoate
N-butyl salicylate
 butylsalicylate
2-hydroxybenzoic acid butyl ester
 nefolia
 salicylic acid butyl ester
 salicylic acid, butyl ester
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Articles:
PubMed: Ultrasound-assisted third-liquid phase-transfer catalyzed esterification of sodium salicylate in a continuous two-phase-flow reactor.
PubMed: DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2,4-dihydroxy benzoic acids.
PubMed: Differentiated in vivo skin penetration of salicylic compounds in hairless rats measured by cutaneous microdialysis.
PubMed: Development of an in vivo animal model for skin penetration in hairless rats assessed by mass balance.
PubMed: In vivo skin penetration of salicylic compounds in hairless rats.
PubMed: The effect of topically applied salicylic compounds on serotonin-induced scratching behaviour in hairless rats.
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