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prenyl salicylate

Chemical Structure

General Material Information

Preferred name prenyl salicylate
Trivial Name Prenyl salicylate
Short Description benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester
Formula C12 H14 O3
CAS Number 68555-58-8
Flavis Number 9.696
ECHA Number 271-434-8
FDA UNII Search
Nikkaji Number J70.100I
NMR Predictor External link
Synonyms
  • benzoic acid, 2-hydroxy-, 3-methyl-2-buten-1-yl ester
  • benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester
  • 2-buten-1-ol, 3-methyl-, salicylate
  • 3-methyl-2-buten-1-yl salicylate
  • 3-methyl-2-butenyl 2-hydroxybenzoate
  • 3-methyl-2-butenyl salicylate
  • 3-methylbut-2-en-1-yl 2-hydroxybenzoate
  • 3-methylbut-2-en-1-yl salicylate
  • 3-methylbut-2-enyl 2-hydroxybenzoate
  • 2-iso pentenyl salicylate
  • 3-methylbut-2-enyl 2-hydroxybenzoate
  • 3-Methylbut-2-en-1-yl 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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2918.23.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.24118041992
Vapor Pressure 0.000457 mmHg @ 25 °C
Flash Point TCC Value 67.78 °C TCC
logP (o/w) 4.217 est
Solubility
alcohol Yes
water, 26.51 mg/L @ 25 °C (est) Yes
Stability
AP roll-on 15% (good) Unspecified
bleach (poor) Unspecified
body lotion (good) Unspecified
cleaner APC liquid (very good) Unspecified
cleaner liquid citric acid (very good) Unspecified
detergent powder conc. (good) Unspecified
shampoo/shower gel (good) Unspecified
soap (good) Unspecified

Organoleptic Properties

Odor Type: Floral
floral, herbal, green, orchid, woody, metallic
Odor strength medium
Substantivity 192 hour(s) at 100.00 %
Luebke, William tgsc, (1991) At 100.00 %. floral herbal green orchid woody metallic
Flavor Type: Herbal
herbal, green, waxy, orchid, metallic, oily, greasy
Luebke, William tgsc, (1991) Herbal green waxy orchid metallic oily greasy

Potential Uses

Applications
Odor purposes Banana, Fern, Gardenia, Green, Herbal, Jasmin, Leather, Orchid
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 3200 mg/kg
(Moreno, 1978k)

oral-rat LD50 3200 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 821, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 821, 1982.

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:
0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).
Recommendation for prenyl salicylate usage levels up to:
8.0000 % 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): 0.011 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000

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):

Flavouring Group Evaluation 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1]
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

Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): 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
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EPA Substance Registry Services (TSCA):68555-58-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :50216
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methylbut-2-enyl 2-hydroxybenzoate
Chemidplus:0068555588