Grundinformationen
- Standard-SMILES
CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C- InChIKey
WAYINTBTZWQNSN-UHFFFAOYSA-N- Summenformel
- C22H44O2
- Durchschnittliche Molmasse
- 340,6 g/mol
- Monoisotopische Masse
- 340,33413064
Namen und Bezeichner
- Bevorzugter Name
- Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester
- IUPAC
- 11-methyldodecyl 3,5,5-trimethylhexanoate
- Lokaler Name
- Isotridecyl-3,5,5-trimethylhexanoat
- Englischer Name
- isotridecyl 3,5,5-trimethylhexanoate
- Summenformel
- C22H44O2
- Molmasse
- 340.58356
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
42131-27-1、59231-37-7、60892-53-7- PubChem CID
- 100993
- UNII
- WEF51750MT
- EC Number
- 261-675-7
- Nikkaji
- J3.586.479B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,9
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 302
Physikochemische Eigenschaften
- Siedepunkt
- 161 ℃[at · 161℃[at 101 325 Pa]
- Dichte
- 0.86 · 0.86[at 20℃]
- Dampfdruck
- 0.001 Pa · 0.001Pa at 20℃
- Geruch (Odor)
- 100 % · at 100.00%. bland
- Wasserlöslichkeit
- 250 ng/L · 250ng/L at 25℃
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
- LogP
- 9.45 at · 9.45 at 25℃
- EPA chemische Informationen
- 3 · Isotridecyl 3,5,5-trimethylhexanoate (59231-37-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (24 of 24) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 24 of 24 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 24 of 24 reports by companies.;There are 0 notifications provided by 0 of 24 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: Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester
Status: Active Update: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26650
Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatorische Informationen
Regulatory Information
Chemical: Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester
Status: Active Update: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26650
Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
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