3-Nonenyl acetate, (3Z)-
Grundinformationen
- CAS
13049-88-2- Standard-SMILES
CCCCC/C=C\CCOC(C)=O- InChIKey
LRQNQAVSERJKNU-FPLPWBNLSA-N- Summenformel
- C11H20O2
- Durchschnittliche Molmasse
- 184,27 g/mol
- Monoisotopische Masse
- 184,14632988
Namen und Bezeichner
- Bevorzugter Name
- 3-Nonenyl acetate, (3Z)-
- IUPAC
- [(Z)-non-3-enyl] acetate
- Englischer Name
- 3-Nonen-1-ol, acetate, (3Z)-
- Summenformel
- C11H20O2
- Molmasse
- 184.28
Namen und Synonyme
(Z)-3-Nonenyl acetate13049-88-23-Nonen-1-ol, acetate, (3Z)-cis-3-Nonenyl acetate3-Nonen-1-ol, 1-acetate, (3Z)-3-Nonenyl acetate, (3Z)-FEMA No. 45533-Nonen-1-ol, acetate, (Z)-G174WAD1GS(3Z)-3-Nonenyl acetate3-NONENYL ACETATE, CIS-DTXSID80893230
Weitere Namen anzeigen
(Z)-3-nonen-1-yl acetateAcetic acid 3-nonenyl ester
PEAR ACETATERefChem:504531(Z)-non-3-enyl acetateDTXCID401323164[(Z)-non-3-enyl] acetateUNII-G174WAD1GS(Z)-Non-3-en-1-yl acetate(3Z)-NON-3-EN-1-YL ACETATE
Datenbank-Bezeichner
- CAS
13049-88-2- PubChem CID
- 71586960
- DTXSID
DTXSID80893230- UNII
- G174WAD1GS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 150
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance substance (cis-3-Nonenyl acetate) -> IFRA amendment 51
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.879-0.890
Flavoring AgentsEU Flavoring substances
Solubility
Very slightly soluble
Soluble (in ethanol)
Boiling Point225-226 °C
Refractive Index1.428-1.438
Physical DescriptionColorless liquid; Green fruity aroma
Physikochemische Eigenschaften
- FEMA
- 4553 · 4553 | CIS-3-NONENYL ACETATE
- Geruch (Odor)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-Nonen-1-ol, acetate, (3Z)-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
IFRA Fragrance Standards
cis-3-Nonenyl acetate
cis-3-Nonenyl acetate; (Z)-3-Nonenyl acetate; 3-Nonen-1-ol, acetate, (3Z)-; (Z)-3-Nonen-1-yl acetate; Acetic acid 3-nonenyl ester; Pear acetate (commercial name)
IFRA_STD_247.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information3-Nonen-1-ol, 1-acetate, (3Z)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.077 [Products applied to the lips]
0.023 [Products applied to the axillae]
0.46 [Products applied to the face/body using fingertips]
0.43 [Products related to fine fragrances]
0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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