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isoamyl salicylate

Chemical Structure

General Material Information

Preferred name isoamyl salicylate
Trivial Name Isoamyl salicylate
Short Description isopentyl salicylate
Formula C12 H16 O3
CAS Number 87-20-7
Deleted CAS Number 34377-38-3
FEMA Number 2084
ECHA Number 201-730-4
FDA UNII M25E4ZMR0N
Nikkaji Number J4.275G
Beilstein Number 2580465
MDL MFCD00020037
COE Number 435
NMR Predictor External link
JECFA Food Flavoring 903 isoamyl salicylate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 87-20-7 ; ISOAMYL SALICYLATE
Synonyms
  • iso amyl o-hydroxybenzoate
  • iso amyl ortho-hydroxybenzoate
  • iso- amyl salicylate
  • nat.iso amyl salicylate
  • oxo- amyl salicylate
  • iso amyl salicylate 1-peak
  • iso amyl salicylate extra
  • iso amyl salicylate natural
  • iso amyl salicylate, natural
  • benzoic acid, 2-hydroxy-, 3-methylbutyl ester
  • 2-hydroxybenzoic acid 3-methyl butyl ester
  • 2-hydroxybenzoic acid 3-methylbutyl ester
  • 2-hydroxybenzoic acid, 3-methylbutyl ester
  • 3-methyl butyl 2-hydroxybenzoate
  • 3-methyl butyl o-hydroxybenzoate
  • 3-methyl butyl ortho-hydroxybenzoate
  • 3-methyl butyl salicylate
  • 3-methylbutyl 2-hydroxybenzoate
  • 3-methylbutyl o-hydroxybenzoate
  • 3-methylbutyl salicylate
  • iso pentyl 2-hydroxybenzoate
  • iso pentyl o-hydroxybenzoate
  • iso pentyl ortho-hydroxybenzoate
  • iso pentyl salicylate
  • iso pentyl-2-hydroxyphenyl methanoate
  • iso pentyl-2-hydroxyphenylmethanoate
  • rhodiaflor SiA
  • salicylic acid isopentyl ester
  • salicylic acid, isopentyl ester
  • 3-methylbutyl 2-hydroxybenzoate
  • Isopentyl alcohol, salicylate
  • Isoamyl o-hydroxybenzoate
  • Isopentyl salicylate
  • 3-Methylbutyl salicylate
  • NSC 7952
  • Isoamyl 2-hydroxybenzoate
  • Isopentyl 2-hydroxybenzoate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40225
FooDB:FDB019939
Export Tariff Code:2918.23.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 208.25712585449
Specific gravity @ 25 °C
Pounds per Gallon 8.729 to 8.779
Specific gravity @ 20 °C
Pounds per Gallon 8.747 to 8.797
Refractive Index 1.507 to 1.509 @ 20 °C
Boiling Point 277 to 278°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.37
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
fixed oils Yes
kerosene Yes
paraffin oil Yes
water, 145 mg/L @ 25 °C (exp) Yes
water No
glycerin No
propylene glycol No
Stability
antiperspirant Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hair spray Unspecified
hard surface cleaner Unspecified
liquid detergent Unspecified
non-discoloring in most media Unspecified
powder Unspecified
shampoo Unspecified

Organoleptic Properties

Odor Type: Floral
floral, herbal, woody, orchid, metallic
Odor strength medium
Substantivity 124 hour(s) at 100.00 %
Luebke, William tgsc, (1982) At 100.00 %. floral herbal woody orchid metallic
Flavor Type: Green
herbal, green, floral, seaweed, oily, nasturtium, waxy, soapy
Luebke, William tgsc, (1997) At 20.00 ppm in water. herbal green floral seaweed oily nasturtium waxy soapy

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 36/37 - Irritating to eyes and respiratory system.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
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 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 5), H303
Skin corrosion/irritation (Category 3), H316
Chronic aquatic toxicity (Category 2), H411
GHS Label elements, including precautionary statements
Pictogramenvironment.jpg
Signal word Warning
Hazard statement(s)
H303 - May be harmfulif swallowed
H316 - Causes mild skin irritation
H411 - Toxic to aquatic life with long lasting effects
Precautionary statement(s)
P273 - Avoid release to the environment.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P391 - Collect spillage. Hazardous to the aquatic environment
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 4100 mg/kg
(Moreno, 1982m)

oral-guinea pig LD50 2480 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.

oral-rat LD50 [sex: M,F] > 5000 mg/kg
(Givaudan Corporation, 1982)

oral-rat LD50 3300 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
maximum skin levels for fine fragrances:
2.1900 % 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 isoamyl salicylate usage levels up to:
14.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
4.0900 %
Dermal Systemic Exposure in Cosmetic Products:
0.1042 mg/kg/day (IFRA, 2002)
Maximised Survey-derived Daily Intakes (MSDI-EU): 41.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 7.00 (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: -3.00000
beverages(nonalcoholic): -1.40000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.90000
fruit ices: -2.90000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.00000
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):87-20-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6874
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:2
3-methylbutyl 2-hydroxybenzoate
Chemidplus:0000087207
RTECS:VO4375000 for cas# 87-20-7