Grundinformationen
- Standard-SMILES
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1- InChIKey
YBGZDTIWKVFICR-UHFFFAOYSA-N- Summenformel
- C18H26O3
- Durchschnittliche Molmasse
- 290,4 g/mol
- Monoisotopische Masse
- 290,18819469
Überblick
Octinoxate is a cinnamate ester.
Namen und Bezeichner
- Bevorzugter Name
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
- IUPAC
- 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate
Namen und Synonyme
5466-77-32-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate2-Ethylhexyl 3-(4-methoxyphenyl)acrylate2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester(E)-Octyl methoxycinnamateAnti AgingStarNSC 26466Octinoxate [USAN:USP:INN]CCRIS 6200HSDB 7459EINECS 226-775-72-ethylhexyl 3-(4-methoxyphenyl)-2-propenoate
Weitere Namen anzeigen
AI3-05710SCHEMBL39360orb1310968CHEMBL3183184CHEBI:134750HMS5084E08s5320AKOS028110087
Datenbank-Bezeichner
- CAS
5466-77-3- PubChem CID
- 21630
- DTXSID
DTXSID1025302- ChEBI
CHEBI:134750- EC Number
- 226-775-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,3
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 304
Experimentelle und physikochemische Eigenschaften
Chemical ClassesUV filter
CosmeticsUv absorber; Uv filter
FragrancesFragrance Ingredient (2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
Collision Cross Section184.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1025302]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 92.2% (1853 of 2010) of all reports.
Not Classified
Aggregated GHS information provided per 2010 reports by companies from 6 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl 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)
Other Safety InformationIMAP assessments - 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 8,269,659 lb
Consumer UsesFragrance
Industry UsesFragrance
Use Classification
Fragrance Ingredients
Cosmetics -> Uv absorber; Uv filter
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester: ACTIVE
Zugehörige Reaktionen
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