Grundinformationen
- Standard-SMILES
CC1=CC(C)C(C=O)CC1- InChIKey
MZZRKEIUNOYYDF-UHFFFAOYSA-N- Summenformel
- C9H14O
- Durchschnittliche Molmasse
- 138,21 g/mol
- Monoisotopische Masse
- 138,10446507
Überblick
See also: Vertocitral (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dimethyl-3-cyclohexene carboxaldehyde
- IUPAC
- 2,4-dimethylcyclohex-3-ene-1-carbaldehyde
- Lokaler Name
- 2,4-Dimethylcyclohex-3-en-1-carbaldehyd
- Englischer Name
- 2,4-Dimethyl-3-cyclohexenecarboxaldehyde
- Summenformel
- C9H14O
- Molmasse
- 138.21
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
68039-49-6、68737-61-1- PubChem CID
- 93375
- DTXSID
DTXSID5044574- ChEMBL
CHEMBL3185383- UNII
- 452GFV2AFS
- EC Number
- 268-264-1
- Nikkaji
- J24.534H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 158
Experimentelle und physikochemische Eigenschaften
Fragrances
Fragrance Ingredient (2,4-Dimethyl-3-cyclohexen-1-carboxaldehyde) -> IFRA transparency List
Fragrance Ingredient (Dimethylcyclohex-3-ene-1-carbaldehyde (isomer mixture)) -> IFRA transparency List
Physikochemische Eigenschaften
- Schmelzpunkt
- 85 · 85-90 °C
- Siedepunkt
- 196 °C · 196 °C(lit.)
- Dichte
- 0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.473(lit.)
- Flammpunkt
- 151 °F · 151 °F
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- 10 % · at 10.00 % in dipropylene glycol. green aldehydic leafy cortex tart floral peely
- Geruchsart
- green
- Kosmetik-Inhaltsstoffe Funktionen
- TONICPERFUMINGFRAGRANCE
- LogP
- 2.67 · 2.67
- EPA chemische Informationen
- 3 · 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- (68039-49-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.2% (4 of 2481) of reports.
Warning
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-
Chemical: 3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-
3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- 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)
3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Dimethylcyclohex-3-ene-1-carbaldehyde: 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
Skin Irrit. 2 (99.8%)
Skin Sens. 1B
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- hs_code
- 2912.29.6090
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Cosmetics -> Tonic
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-: ACTIVE
3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-: ACTIVE
Anwendungen
Verwenden2,4-Dimethyl-3-cyclohexenecarboxaldehyde is used in method for improving performance of fragrance or its mixture.
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