2-Ethylhexylsalicylat

Ethylhexyl salicylate · OCTISALATE · Octyl salicylate · Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester · OCTISALATE,USP · Neo Heliopan OS · SALICYLIC ACID OCTYL ESTER · SALICYLIC ACID-2-ETHYL-1-HEXYL ESTER

https://huagongshe.com/de/chemical/8364

Molekülstruktur von 2-Ethylhexylsalicylat

Identifikatoren & physikalische Daten

CAS No.	118-60-5
Summenformel	C15H22O3
Durchschnittliche Molmasse	250,33 g/mol
Monoisotopische Masse	250,15689456 g/mol
SMILES	CCCCC(CC)COC(=O)c1ccccc1O
InChIKey	FMRHJJZUHUTGKE-UHFFFAOYSA-N
PubChem CID	8364
ChEMBL	CHEMBL1329203
ChEBI	CHEBI:88639
EC No.	204-263-4
DTXSID	DTXSID7040734
Lokaler Name	2-Ethylhexylsalicylat

Chemische & physikalische Eigenschaften

XLogP	5,7
Polarare Oberfläche (TPSA)	46,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	8
Schwere Atome	18
Formalladung	0
Komplexität	240
Physical Description	Liquid
Kovats Retention Index	17691816.7180518141807
Collision Cross Section	151.39 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]154.54 Å² [M+H]+ [CCS Type: TW158.92 Å² [M+Na]+ [CCS Type: TW161.26 Å² [M+K]+ [CCS Type: TW
Siedepunkt	189-190 °C/21 mmHg (lit.)
Dichte	1.014 g/mL at 25 °C (lit.)
Dampfdruck	0.018Pa at 20℃
Brechungsindex	n20/D 1.502(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Refrigerator
Löslichkeit	Chloroform (Slightly), Ethyl Acetate (Slightly)74.4μg/L at 20℃
Aggregatzustand	Liquid
pKa (Säurekonstante)	8.13±0.30(Predicted)
Farbe	A colourless liquid.
Geruch	at 100.00 %. mild orchid sweet balsam
Geruchsart	floral
Biologische Quelle	synthetic
Merck	14,6770
BRN	2730664
Hauptanwendungen	cleaning productscosmeticsenvironmentalflavors and fragrancesfood and beveragespersonal care
Kosmetik-Inhaltsstoffe Funktionen	LIGHT STABILIZERUV ABSORBERUV FILTER
InChI	1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
InChIKey	FMRHJJZUHUTGKE-UHFFFAOYSA-N
SMILES	CCCCC(CC)COC(=O)c1ccccc1O
LogP (Verteilungskoeffizient)	5.94 at 25℃
CAS Datenbank	118-60-5(CAS DataBase Reference)
NIST chemische Informationen	Salicylic acid, 2-ethylhexyl ester(118-60-5)
EPA chemische Informationen	2-Ethylhexyl salicylate (118-60-5)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 0.8% (14 of 1669) of reports.WarningH315 (84.7%): Causes skin irritation [Warning Skin corrosion/irritation]H410 (14.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1669 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 14 of 1669 reports by companies.There are 8 notifications provided by 1655 of 1669 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: Benzoic acid, 2-hydroxy-, 2-ethylhexyl esterBenzoic acid, 2-hydroxy-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, 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)Status: Active Update: 18-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14203Ethyl hexyl salicylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (84.7%)Aquatic Chronic 1 (14.4%)
Toxizitätsübersicht	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)...Ethylhexyl Salicylate...Safe for use in cosmetics, with qualifications

Anwendungen & Verwendung

Occurrence

Has apparently not been reported to occur in nature.

Verwenden

2-ethylhexyl salicylate is also known as ethylhexyl salicylate and octyl salicylate. It is a uVB absorber.

Herstellung & Synthese

synthetische

From 2-ethylhexanol and salicylic acid by azeotropic-type esterification (Arctander, 1969).