Grundinformationen
- Standard-SMILES
CC1(C)CC=C(CCC=O)CC1- InChIKey
IHMKWBJKOWYASH-UHFFFAOYSA-N- Summenformel
- C11H18O
- Durchschnittliche Molmasse
- 166,26 g/mol
- Monoisotopische Masse
- 166,1357652
Namen und Bezeichner
- Bevorzugter Name
- 1-Cyclohexene-1-propanal, 4,4-dimethyl-
- IUPAC
- 3-(4,4-dimethylcyclohexen-1-yl)propanal
Namen und Synonyme
1-Cyclohexene-1-propanal, 4,4-dimethyl-850997-10-3DTXSID60889212RefChem:431634DTXCID4010284793-(4,4-Dimethylcyclohex-1-en-1-yl)propanalSCHEMBL23514383-(4,4-dimethyl-1-cyclohexen-1-yl)propanal
Datenbank-Bezeichner
- CAS
850997-10-3- PubChem CID
- 22336879
- DTXSID
DTXSID60889212- EC Number
- 700-339-0
- Nikkaji
- J3.363.161H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 189
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (1-Cyclohexene-1-propanal, 4,4-dimethyl-) -> IFRA transparency List
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302+H332 (13.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Regulatory Information
Chemical: 1-Cyclohexene-1-propanal, 4,4-dimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 15-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32359
1-Cyclohexene-1-propanal, 4,4-dimethyl-: 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.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 7 consumer products that contain 1-Cyclohexene-1-propanal, 4,4-dimethyl in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information1-Cyclohexene-1-propanal, 4,4-dimethyl-: ACTIVE
Zugehörige Reaktionen
2
Verknüpfte Notizen
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