Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCCCCOC(C)=O- InChIKey
LSTDYDRCKUBPDI-UHFFFAOYSA-N- Summenformel
- C18H36O2
- Durchschnittliche Molmasse
- 284,5 g/mol
- Monoisotopische Masse
- 284,27153039
Namen und Bezeichner
- Bevorzugter Name
- Cetyl Acetate
- IUPAC
- hexadecyl acetate
- Lokaler Name
- Hexadecylacetat
- Englischer Name
- Palmityl acetate
- Summenformel
- C18H36O2
- Molmasse
- 284.48
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
629-70-9- PubChem CID
- 12393
- DTXSID
DTXSID2052312- ChEMBL
CHEMBL137354- ChEBI
CHEBI:146185- UNII
- 4Q43814HXS
- EC Number
- 211-103-7
- Nikkaji
- J45.696I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 202
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
2009;2010;2010;1994;1996;1976;1991.1;1984;1997;1990
2006.9;2010;2009;2009;2009;2013;2008;2010;1995;2003;2009;2009;2009;2010;2013;2008;2006;2011;2004;2005
2294;2309;2312;2312
Physikochemische Eigenschaften
- Schmelzpunkt
- 24.2 °C · 24.2°C
- Siedepunkt
- 326.96 °C · 326.96°C (estimate)
- Dichte
- 0.8672 · 0.8672 (estimate)
- Dampfdruck
- 0.005 Pa · 0.005Pa at 25℃
- Brechungsindex
- 1.4439 · 1.4439 (estimate)
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- solid
- Farbe
- Colourless
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING - EMOLLIENTFRAGRANCESKIN CONDITIONING
- InChI
- InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
- InChIKey
- LSTDYDRCKUBPDI-UHFFFAOYSA-N
- SMILES
- C(OC(=O)C)CCCCCCCCCCCCCCC
- LogP
- 8.66 at · 8.66 at 40℃
- EPA chemische Informationen
- Cetyl acetate (629-70-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (214 of 214) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 214 of 214 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 214 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 214 of 214 reports by companies.;There are 0 notifications provided by 0 of 214 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-Hexadecanol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Reg. (EU) 2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160
Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17600
Cetyl acetate: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: 1-Hexadecanol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Reg. (EU) 2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160
Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17600
Cetyl acetate: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- RTECS-Nr.
- MM0225200
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Cetyl Acetate
Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Use Classification
EPA Safer Chemical Functional Use Classes -> Emollients;Skin Conditioning Agents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Emollient
Anwendungen
BeschreibungPalmityl acetate is an ester compound with a waxy odour. Palmityl acetate, an acetate ester derived from hexadecan-1-ol (palmityl alcohol), is used as an emollient, masking agent and skin conditioner. It can also be used as a plasticizer or stabilizer in producing plastics and resins. It is a pheromone constituent present in various species of mouse, arachnid and insect. It has a cosmetic role, as well as a pheromone and an epitope.
VerwendenHexadecyl Acetate is a plant sex pheromone.
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