Grundinformationen
- Standard-SMILES
CC/C=C\CCCCCCCCCCOC(C)=O- InChIKey
YJINQJFQLQIYHX-PLNGDYQASA-N- Summenformel
- C16H30O2
- Durchschnittliche Molmasse
- 254,41 g/mol
- Monoisotopische Masse
- 254,2245802
Namen und Bezeichner
- Bevorzugter Name
- 11-Tetradecenyl acetate, (11Z)-
- IUPAC
- [(Z)-tetradec-11-enyl] acetate
- Lokaler Name
- (Z)-Tetradec-11-enylacetat
- Englischer Name
- (Z)-11-TETRADECEN-1-YL ACETATE
- Summenformel
- C16H30O2
- Molmasse
- 254.41
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
20711-10-8- PubChem CID
- 5367692
- DTXSID
DTXSID3035266- ChEMBL
CHEMBL3181839- ChEBI
CHEBI:179801- UNII
- U0U163294D
- EC Number
- 243-982-8
- Nikkaji
- J664E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,9
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 209
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1788;1800.9;1783.7
1812;1743
2137;2154
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 ℃ · <25℃
- Siedepunkt
- 316.2 · 316.2±11.0℃ (760 torr)
- Dichte
- 0.878 · 0.878±0.06 g/cm3 (20 ºC 760 Torr)
- Brechungsindex
- 1.4515 · 1.4515 (20℃)
- Flammpunkt
- 87.2 · 87.2±17.6℃
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform, Methanol (Sparingly)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- InChI
- InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4-
- InChIKey
- YJINQJFQLQIYHX-PLNGDYQASA-N
- SMILES
- C(OC(=O)C)CCCCCCCCC/C=C\CC
- LogP
- 6.49 · 6.490 (est)
- CAS Datenbank
- 20711 · 20711-10-8
- EPA chemische Informationen
- -11 · (Z)-11-Tetradecen-1-ol acetate (20711-10-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (53.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (53.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (53.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (38.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Commission Regulation (EC) No 2229/2004
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
Regulatorische Informationen
Regulatory Information
Commission Regulation (EC) No 2229/2004
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
Sicherheitsdaten
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden(Z)-11-Tetradecenyl Acetate is a sex pheremone component that can be found in various insect specie, such as O. nubilalis and Asian and European corn borers.
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