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phenethyl salicylate

Chemical Structure

General Material Information

Preferred name phenethyl salicylate
Trivial Name Phenethyl salicylate
Short Description salicylic acid, phenethyl ester
Formula C15 H14 O3
CAS Number 87-22-9
FEMA Number 2868
Flavis Number 9.753
ECHA Number 201-732-5
FDA UNII 6LDP0U8UB0
Nikkaji Number J141.660J
MDL MFCD00020036
COE Number 437
NMR Predictor External link
JECFA Food Flavoring 905 phenethyl salicylate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 87-22-9 ; PHENETHYL SALICYLATE
Synonyms
  • benzoic acid, 2-hydroxy-, 2-phenylethyl
  • benzoic acid, 2-hydroxy-, 2-phenylethyl ester
  • benzyl carbinyl 2-hydroxy benzoate
  • benzyl carbinyl 2-hydroxybenzoate
  • benzyl carbinyl salicylate
  • benzylcarbinyl 2-hydroxybenzoate
  • benzylcarbinyl salicylate
  • diethyl 1,2-dihydroxy-1, 2-ethanedicarboxylate
  • 2-hydroxybenzoic acid 2-phenethyl ester
  • 2-hydroxybenzoic acid 2-phenyl ethyl ester
  • phenethyl 2-hydroxybenzoate
  • 2-phenyl ethyl 2-hydroxybenzoate
  • 2-phenyl ethyl salicylate
  • 2-phenylethyl 2-hydroxybenzoate
  • phenylethyl salicylate
  • 2-phenylethyl salicylate
  • salicylic acid phenethyl ester
  • salicylic acid phenyl ethyl ester
  • salicylic acid, phenethyl ester
  • 2-phenylethyl 2-hydroxybenzoate
  • 2-Phenylethyl salicylate
  • NSC 72035
  • 2-Hydroxy-benzoic acid phenethyl ester

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
HMDB (The Human Metabolome Database):HMDB35019
FooDB:FDB013624
Export Tariff Code:2918.23.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 242.27418518066
Melting Point 39 to 41°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 2.0E-6 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 4.503 est
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
paraffin oil Yes
water, 7.856 mg/L @ 25 °C (est) Yes
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
balsamic, floral, rose, hyacinth, carnation
Odor strength low
Substantivity 232 hour(s) at 20.00 % in dipropylene glycol
Luebke, William tgsc, (1982) At 100.00 %. balsamic floral rose hyacinth carnation
Flavor Type: Medicinal,
medicinal, metallic, balsamic, cloth laundered cloth, powdery, plastic
Luebke, William tgsc, (1982) Medicinal metallic balsamic laundered cloth powdery plastic
General comment Medicinal, balsamic

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 36/38 - Irritating to skin and eyes.
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 24/25 - Avoid contact with skin and eyes.
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)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 + P312 - IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER or doctor/ physician if you feel unwell.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1973ab)

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:
1.4900 % 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 phenethyl salicylate usage levels up to:
12.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
1.8827 %
Dermal Systemic Exposure in Cosmetic Products:
0.0480 mg/kg/day (IFRA, 2002)
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (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: 2.000002.00000
beverages(nonalcoholic): -0.75000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.67000
fruit ices: -0.67000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.50000
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):87-22-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62332
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3077
WGK Germany:2
2-phenylethyl 2-hydroxybenzoate
Chemidplus:0000087229