Basic information
- CAS
118-56-9- Standard SMILES
CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1- InChIKey
WSSJONWNBBTCMG-UHFFFAOYSA-N- Molecular formula
- C16H22O3
- Average molar mass
- 262.34 g/mol
- Monoisotopic mass
- 262.15689456
Overview
3,3,5-trimethylcyclohexylsalicylate appears as viscous or light yellow to slightly tan liquid or oil. (NTP, 1992)
Names & identifiers
- Preferred name
- Homosalate
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
- English name
- Homosalate
- Molecular formula
- C16H22O3
- Molecular weight
- 262.34
Names & synonyms
Homosalate118-56-9Homomenthyl salicylateHeliophan3,3,5-Trimethylcyclohexyl 2-hydroxybenzoateHomosalato(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoateHomosalatumBenzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl esterSalicylic Acid 3,3,5-Trimethylcyclohexyl EsterNSC-164918V06SV4M95S
Show more names
HMSHeliopanHomosalat3,3,5-TRIMETHYLCYCLOHEXYL SALICYLATEBenzoicacid,2-hydroxy-,3,3,5-trimethylcyclohexylesteromosalateCoppertone
Sunscreen SKINCAREBULUBIU ADVANCEDRefChem:55307dAlba Vegan Fresh Sun StickdAlba Vegan Essence SunscreenIlluminating Daily MoisturizerdAlba Vegan Tone-Up SunscreenSun Protection Facial SPF 50
Database identifiers
- CAS
118-56-9- PubChem CID
- 8362
- DTXSID
DTXSID1026241
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Experimental & physicochemical properties
Chemical ClassesUV filter
CosmeticsSkin conditioning; Uv absorber; Uv filter
FragrancesFragrance Ingredient (Homomenthyl salicylate) -> IFRA transparency List
Density1.045 at 77 °F (NTP, 1992) - Denser than water; will sink
SolubilityInsoluble (<1 mg/ml at 79 °F) (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point322 to 329 °F at 760 mmHg (NTP, 1992)
Physical Description3,3,5-trimethylcyclohexylsalicylate appears as viscous or light yellow to slightly tan liquid or oil. (NTP, 1992)
Collision Cross Section156.63 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
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 67% (152 of 227) of all reports.
Warning
H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 227 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester
Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl 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: Homosalate (EC: 204-260-8)
Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
An ester and a phenol. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Chemistry & industry
Pharmacology
Protein BindingFor local use only, no systemic absorption.
PharmacodynamicsActs as UV filters.
Mechanism of ActionHomosalate has the ability to convert incident ultraviolet radiation into less damaging infrared radiation (heat).
Biological Half-LifeFor local use only, no systemic absorption.
Metabolism/MetabolitesFor local use only, no systemic absorption.
MeSH Pharmacological ClassificationChemical or physical agents that protect the skin from sunburn and erythema by absorbing or blocking ultraviolet radiation.
Absorption, Distribution and Excretion
For local use only, no systemic absorption.
For local use only, no systemic absorption.
For local use only, no systemic absorption.
For local use only, no systemic absorption.
Uses & manufacturing
U.S. Production2023: 234,569 lb
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 52 consumer products that contain Homosalate in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Skin conditioning; Uv absorber; Uv filter
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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