2,6,6-Trimethylcyclohexencarbaldehyd

beta-Cyclocitral

HCID 9895CAS 432-25-7
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Grundinformationen

Standard-SMILES
CC1=C(C=O)C(C)(C)CCC1
InChIKey
MOQGCGNUWBPGTQ-UHFFFAOYSA-N
Summenformel
C10H16O
Durchschnittliche Molmasse
152,23 g/mol
Monoisotopische Masse
152,12011513

Überblick

Beta-cyclocitral is a monoterpenoid formally derived from citral by cyclisation. It is a volatile compound produced by a cyanobacteria. It has a role as a bacterial metabolite.

Namen und Bezeichner

Bevorzugter Name
beta-Cyclocitral
IUPAC
2,6,6-trimethylcyclohexene-1-carbaldehyde
Lokaler Name
2,6,6-Trimethylcyclohexen-1-carbaldehyd
Englischer Name
beta-Cyclocitral
Summenformel
C10H16O
Molmasse
152.23

Namen und Synonyme

beta-Cyclocitral432-25-72,6,6-trimethylcyclohex-1-ene-1-carbaldehyde1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDEDTXSID704714277Y0U2X29GDTXCID5027142CHEBI:53177RefChem:567277FEMA NO. 3639, BETA-207-081-3
Weitere Namen anzeigen
β-cyclocitralβ-cyclocitralGradeFEMA 36392,2-Dimethyl-6-methylenecyclohexane-1-carbaldehyde
b-cyclocitral2,6,6-Trimethylcyclohexene-1-carbaldehyde.beta.-Cyclocitral1-Formyl-2,6,6-trimethyl-1-cyclohexeness-Cyclocitralbeta-cyclocitrol2,6,6-trimethylcyclohex-1-enecarbaldehydeMFCD00079078

Datenbank-Bezeichner

CAS
432-25-7、52844-21-0
PubChem CID
9895
DTXSID
DTXSID7047142
ChEBI
CHEBI:53177
UNII
77Y0U2X29G
EC Number
207-081-3
Nikkaji
J127.248I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Boiling Point62.00 to 63.00 °C. @ 3.00 mm Hg

Physikochemische Eigenschaften

Schmelzpunkt
62 · 62-63 C
Siedepunkt
62 · 62-63 °C3 mm Hg(lit.)
Dichte
0.943 g/mL · 0.943 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.497(lit.)
FEMA
3639 · 3639 | 2,6,6-TRIMETHYL-1&2-CYCLOHEXEN-1-CARBOXALDEHYDE
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 53.3% (64 of 120) of all reports.

Warning

H302 (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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 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

Other Safety InformationIMAP assessments - 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (40.8%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
1760
hs_code
29122990
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Use ClassificationFragrance Ingredients
General Manufacturing Information1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: ACTIVE

Anwendungen

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

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A monoterpenoid formally derived from citral by cyclisation. It is a volatile compound produced by a cyanobacteria.

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