Grundinformationen
- Standard-SMILES
CCCCCCCCCCC(CO)CCCCCCCC- InChIKey
LEACJMVNYZDSKR-UHFFFAOYSA-N- Summenformel
- C20H42O
- Durchschnittliche Molmasse
- 298,5 g/mol
- Monoisotopische Masse
- 298,32356596
Namen und Bezeichner
- Bevorzugter Name
- 2-Octyldodecanol
- IUPAC
- 2-octyldodecan-1-ol
- Lokaler Name
- 2-Octyldodecan-1-ol
- Englischer Name
- 2-Octyl-1-dodecanol
- Summenformel
- C20H42O
- Molmasse
- 298.55
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
5333-42-6- PubChem CID
- 21414
- DTXSID
DTXSID3036288- ChEMBL
CHEMBL1572050- UNII
- 461N1O614Y
- EC Number
- 226-242-9
- Nikkaji
- J149.440F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 179
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 1 · −1-1 °C(lit.)
- Siedepunkt
- 234 · 234-238 °C/33 mmHg(lit.)
- Dichte
- 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.1 Pa · 0.1Pa at 148.85℃
- Brechungsindex
- 20 · n20/D 1.453(lit.)
- Flammpunkt
- 113 °C · 113 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Practically insoluble in water, miscible with ethanol (96 per cent).
- pka
- 15.03 · 15.03±0.10(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Colourless
- Wasserlöslichkeit
- 10 μg/L · 10μg/L at 23℃
- Kosmetik-Inhaltsstoffe Funktionen
- FRAGRANCEPERFUMINGSOLVENTSKIN CONDITIONING - EMOLLIENT
- InChI
- 1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
- InChIKey
- LEACJMVNYZDSKR-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCC(CO)CCCCCCCC
- LogP
- 8.63 at · 8.63 at 20℃
- EPA chemische Informationen
- 2 · 2-Octyldodecanol (5333-42-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 93.7% (373 of 398) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 373 of 398 companies (only 6.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 398 reports by companies from 5 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 373 of 398 reports by companies.;There are 3 notifications provided by 25 of 398 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: 1-Dodecanol, 2-octyl-
1-Dodecanol, 2-octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanol, 2-octyl- 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: 10-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5814
1-Dodecanol, 2-octyl-: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Toxicity Summary
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Regulatorische Informationen
Regulatory Information
Chemical: 1-Dodecanol, 2-octyl-
1-Dodecanol, 2-octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanol, 2-octyl- 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: 10-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5814
1-Dodecanol, 2-octyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- nwg
- tsca
- TSCA listed
- hs_code
- 2905199095
- RTECS-Nr.
- JR4240000
- risk_code
- 36/37/38
- Toxizität
- skn-rat 100 mg/24H MOD CTOIDG 94(8),41,79
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Octyl Dodecanol
CIR ingredient: Octyldodecanol
Use Classification
Fragrance Ingredients
Cosmetics -> Solvent; Emollient
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities;Petroleum Lubricating Oil and Grease Manufacturing;Soap, Cleaning Compound, and Toilet Preparation Manufacturing;Miscellaneous Manufacturing;Paint and Coating Manufacturing;Adhesive Manufacturing;Not Known or Reasonably Ascertainable;All Other Chemical Product and Preparation Manufacturing
1-Dodecanol, 2-octyl-: ACTIVE
Anwendungen
Verwenden2-Octyl-1-dodecanol have been used as a emulsion stabilizer for polymer matrix patches.
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