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HCID 9895Erstellt: 26. Oktober 2026

2,6,6-Trimethylcyclohexen-1-carbaldehyd

1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl- · β-cyclocitral · B-CYCLOCITRAL · 2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde · 2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE · Grade · FEMA 3639 · 2,2-Dimethyl-6-methylenecyclohexane-1-carbaldehyde

https://huagongshe.com/de/chemical/9895

Molekülstruktur von 2,6,6-Trimethylcyclohexen-1-carbaldehyd

Identifikatoren & physikalische Daten

CAS No.432-25-7
SummenformelC10H16O
Durchschnittliche Molmasse152,23 g/mol
Monoisotopische Masse152,12011513 g/mol
SMILESCC1=C(C=O)C(C)(C)CCC1
InChIKeyMOQGCGNUWBPGTQ-UHFFFAOYSA-N
PubChem CID9895
ChEBICHEBI:53177
EC No.207-081-3
DTXSIDDTXSID7047142
Lokaler Name2,6,6-Trimethylcyclohexen-1-carbaldehyd

Chemische & physikalische Eigenschaften

XLogP2,4
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität199
DuftstoffeFragrance Ingredient (2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde) -> IFRA transparency List
AromastoffeEU Flavoring substances
Siedepunkt62.00 to 63.00 °C. @ 3.00 mm Hg62-63 °C3 mm Hg(lit.)
Schmelzpunkt62-63 C
Dichte0.943 g/mL at 25 °C(lit.)
Brechungsindexn20/D 1.497(lit.)
FEMA3639 | 2,6,6-TRIMETHYL-1&2-CYCLOHEXEN-1-CARBOXALDEHYDE
Flammpunkt>230 °F
LagerbedingungenInert atmosphere,Store in freezer, under -20°C
LöslichkeitChloroform (Slightly), Dichloromethane, Ethyl Acetate (Slightly), Methanol (Slightly)Soluble in chloroform, dichloromethane, ethyl acetate and methanol. Insoluble in water.
AggregatzustandOil
FarbeColourless to Dark Yellow
Geruchat 10.00 % in dipropylene glycol. tropical saffron herbal clean rose oxide sweet tobacco damascone fruity
Geruchsarttropical
JECFA Number979
StabilitätLight Sensitive
Hauptanwendungencleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
InChI1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChIKeyMOQGCGNUWBPGTQ-UHFFFAOYSA-N
SMILES[H]C(=O)C1=C(C)CCCC1(C)C
LogP (Verteilungskoeffizient)3.26
EPA chemische Informationen1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl- (432-25-7)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 53.3% (64 of 120) of all reports.WarningH302 (40.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 120 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenIMAP assessments - 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (40.8%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-Transportnummer1760
Zollcode29122990
R-Sätze (R)20/21/22-36/37/38
GefahrensymboleXn,Xi
Sicherheitshinweise (S)26-36-37/39
Gefahrenklasse8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
VerpackungsgruppeIII
Lagerklasse10 - Combustible liquids

Anwendungen & Verwendung

Occurrence

Reported found in tea, apricot, melon, tomato, tomato paste, ginger, rum, Japanese plum, plumcot, mango, apple brandy, calamus, buckwheat, Bourbon vanilla, cape gooseberry and maté.

Verwenden

beta-Cyclocitral is used as flavoring agent, nutrient, stabilizers, surfactants and emulsifiers.