β-Cyclocitral
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β-Cyclocitral
structure -
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CAS No:
432-25-7
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Formula:
C10H16O
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Chemical Name:
β-Cyclocitral
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Synonyms:
1-Cyclohexene-1-carboxaldehyde,2,6,6-trimethyl-;2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde;β-Cyclocitral;1-Formyl-2,6,6-trimethyl-1-cyclohexene;2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde;2,6,6-Trimethylcyclohexene-1-carbaldehyde
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CAS No:
Description
Colourless Oil 2,6,6-Trimethyl-1,2-cyclohexen-1-carboxaldehyde has a camphoraceous odor for a 50/50 mixture of isomers.
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.
Characteristics
17.1
2.71190
0.952 g/cm3 @ Temp: 15 °C
62-63 C
90-92 °C @ Press: 10 Torr
>230 °F
n20/D 1.497(lit.)
soluble in chloroform, dichloromethane, ethyl acetate and methanol. Insoluble in water.
2-8°C
0.176mmHg at 25°C
Safety Information
III
8
1760
3
20/21/22-36/37/38
26-36-37/39
Xn,Xi
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 113 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
β-Cyclocitral Use and Manufacturing
1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:152.23
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:152.120115130
Monoisotopic Mass:152.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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