Basic information
- CAS
2050-08-0- Standard SMILES
CCCCCOC(=O)c1ccccc1O- InChIKey
RANVDUNFZBMTBK-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Overview
Amyl salicylate is a benzoate ester.
Names & identifiers
- Preferred name
- Amyl Salicylate
- IUPAC
- pentyl 2-hydroxybenzoate
- English name
- Amyl salicylate
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
Amyl salicylate2050-08-0Pentyl 2-hydroxybenzoatePentyl salicylateBenzoic acid, 2-hydroxy-, pentyl esterSALICYLIC ACID, PENTYL ESTER2-Hydroxybenzoic acid, pentyl esterVZO9C30208NSC-44877NSC-46125NSC-403668DTXSID9029227
Show more names
AmylenolPentylsalicylatOXY AMYL SALICYLATESalicylic acid amylPENTYL-2-HYDROXYBENZOATEPentyl-o-hydroxybenzoate
RefChem:112400DTXCID709227218-080-2N-Amyl salicylateSalicylic acid, amyl esterAmylester kyseliny salicyloveAmyl Salicylate (Mixed Isomers 35/65)salicylic acid pentyl ester
Database identifiers
- CAS
2050-08-0- PubChem CID
- 16299
- DTXSID
DTXSID9029227- ChEBI
CHEBI:88386- UNII
- VZO9C30208
- EC Number
- 218-080-2
- Nikkaji
- J48.324I
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Cosmetics
Cosmetics ingredient -> Flavor; Fragrance; Moisturizing/Humectant; Other (Specify); Solvent
Cosmetic ingredients (Amyl Salicylate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning
SpringerMaterials PropertiesBoiling point
Fragrances
Fragrance Ingredient (Amyl salicylate) -> IFRA transparency List
Fragrance
Food AdditivesUse unspecified -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility5 mg/L @ 20 °C (exp)
Boiling Point268.00 °C. @ 760.00 mm Hg
Physical DescriptionLiquid; CBI
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (6 of 1869) of reports.
Warning
H302 (17.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1869 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, pentyl ester
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzoic acid, 2-hydroxy-, pentyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, pentyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Pentyl salicylate (EC: 218-080-2)
Amyl salicylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (17.6%)
Toxicology
Toxicity Summary
The Panel concluded that the following ingredients are safe in cosmetics in the present practices of use and concentration described in the safety assessment, when formulated to be non-irritating and non-sensitizing, which may be based on a quantitative risk assessment (QRA)..Amyl Salicylate...
Safe for use in cosmetics, with qualifications
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesCIR ingredient: Amyl Salicylate
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household Products
Cosmetics product ingredient: Pentyl-2-hydroxy-benzoate (Amyl Salicylate)
Information on 99 consumer products that contain Amyl Salicylate in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Skin conditioning
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzoic acid, 2-hydroxy-, pentyl ester: ACTIVE
Applications
OccurrenceApparently has not been reported to occur in nature.
Usescleaning productscosmeticsfood and beveragespersonal care
Preparation methods
PreparationBy esterification of salicylic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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