Articles:
| None found yet. Try the PubMed Search. |
Notes:
Blends well with balsams, herb and wood notes.
Flavouring agent with orchid/wintergreen odour and bitter taste
| Fragrance Demo Formulas | ||
| Name: | 2-methylpropyl 2-hydroxybenzoate | |
| CAS Number: | 87-19-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 201-729-9 | |
| FDA UNII: | S122C080GX | |
| Nikkaji Web: | J36.460F | |
| Beilstein Number: | 2615955 | |
| MDL: | MFCD00020035 | |
| FEMA Number: | 2213 | |
| 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 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 to 6.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 260.00 to 262.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.006000 mmHg @ 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 |
| Odor Description: at 10.00 % in dipropylene glycol. | clover herbal orchid floral |
| Substantivity: | 48 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
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. | |
| 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 | |||
| Click here to view publication 3 | |||
| average usual ppm | average 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:
| 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 |
| 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
Potential Uses:
| acacia | FR | |
| aimant | ||
| ambrosia | FR | |
| anise | FR | |
| balsam | FR | |
| blackberry | FR | |
| camellia | FR | |
| carnation | FR | |
| cherry | FR | |
| clary sage oil replacer | FR | |
| clover | FR | |
| currant | FR | |
| fern | FR | |
| leather | FR | |
| modifier | ||
| mulberry | FR | |
| orchid | FR | |
| oriental | FR | |
| peach | FR | |
| poppy red poppy | FR | |
| presence | ||
| raspberry | FR | |
| root beer | FR | |
| strawberry | FR | |
| tuberose | FR | |
| valerian | FL/FR | |
| wallflower | FR | |
| wintergreen | FR |
Occurrence (nature, food, other): note
| ligustrum sinense flower Search Trop Picture | |
| magnolia Search PMC Picture |
Synonyms:
| benzoic acid, 2-hydroxy-, 2-methylpropyl ester | |
| 2-iso | butoxycarbonyl phenol |
| 2-iso | butoxycarbonylphenol |
| iso | butyl 2-hydroxybenzoate |
| iso | butyl o-hydroxybenzoate |
| iso | butyl ortho-hydroxybenzoate |
| iso | butyl salicylate FCC |
| iso | butylsalicylate |
| 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 |