Grundinformationen
- CAS
118-60-5- Standard-SMILES
CCCCC(CC)COC(=O)c1ccccc1O- InChIKey
FMRHJJZUHUTGKE-UHFFFAOYSA-N- Summenformel
- C15H22O3
- Durchschnittliche Molmasse
- 250,33 g/mol
- Monoisotopische Masse
- 250,15689456
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethylhexyl salicylate
- IUPAC
- 2-ethylhexyl 2-hydroxybenzoate
- Lokaler Name
- 2-Ethylhexylsalicylat
- Englischer Name
- 2-Ethylhexyl salicylate
- Summenformel
- C15H22O3
- Molmasse
- 250.33
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
118-60-5- PubChem CID
- 8364
- DTXSID
DTXSID7040734- ChEMBL
CHEMBL1329203- ChEBI
CHEBI:88639- UNII
- 4X49Y0596W
- EC Number
- 204-263-4
- Nikkaji
- J82.395C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,7
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 240
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1769
1816.7;1805;1814;1807
Collision Cross Section
151.39 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];154.54 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];158.92 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];161.26 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Siedepunkt
- 189 · 189-190 °C/21 mmHg (lit.)
- Dichte
- 1.014 g/mL · 1.014 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.018 Pa · 0.018Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.502(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Liquid
- pka
- 8.13 · 8.13±0.30(Predicted)
- Farbe
- A colourless liquid.
- Geruch (Odor)
- 100 % · at 100.00 %. mild orchid sweet balsam
- Geruchsart
- floral
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- 74.4 μg/L · 74.4μg/L at 20℃
- Merck
- 14 · 14,6770
- BRN
- 2730664 · 2730664
- Major Application
- 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
- 5.94 at · 5.94 at 25℃
- CAS Datenbank
- 118 · 118-60-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Salicylic acid, 2-ethylhexyl ester(118-60-5)
- EPA chemische Informationen
- 2 · 2-Ethylhexyl salicylate (118-60-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (14 of 1669) of reports.
Warning
H315 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester
Benzoic 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/14203
Ethyl hexyl salicylate: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
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)...Ethylhexyl Salicylate...
Safe for use in cosmetics, with qualifications
Regulatorische Informationen
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester
Benzoic 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/14203
Ethyl hexyl salicylate: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 2918230000
- RTECS-Nr.
- VO3150000
- risk_code
- 36/37/38
- Toxizität
- LD50 intraperitoneal in mouse: 200mg/kg
- safety_code
- 26-36/37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 1
Chemie und Industrie
Pharmakologische Informationen
Absorption, Distribution and Excretion
Intended for local use only, no systemic absorption.
Intended for local use only, no systemic absorption.
Intended for local use only, no systemic absorption.
Intended for local use only, no systemic absorption.
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Cosmetics -> Uv absorber; Uv filter
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
Verwenden2-ethylhexyl salicylate is also known as ethylhexyl salicylate and octyl salicylate. It is a uVB absorber.
Darstellung
synthetischeFrom 2-ethylhexanol and salicylic acid by azeotropic-type esterification (Arctander, 1969).
Anbieter100 Anbieter
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