(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
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(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
structure -
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CAS No:
23726-92-3
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Formula:
C13H20O
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Chemical Name:
(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
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Synonyms:
2-Buten-1-one,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(2Z)-;2-Buten-1-one,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(Z)-;(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one;(Z)-β-Damascone
- Categories:
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CAS No:
(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one Basic Attributes
192.3
192.30
245-842-1
074X5R04IQ
DTXSID6051487
2914299000
Characteristics
17.07000
4.40
0.9±0.1 g/cm3
271.2±10.0 °C at 760 mmHg
108.0±14.0 °C
1.476
192.3mg/L(temperature not stated)
2-8°C
Safety Information
NONH for all modes of transport
2
43
36/37
EN0340000
Xi
P280-P333 + P313
H317-H413
|Warning|H315 (81.41%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 1608 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one Use and Manufacturing
It is derived from the acid-catalyzed reaction of the ethylene oxide derivative of β-dihydroturketoketone. It is obtained by treating the corresponding ethyl crocetin with allyl lithium and then performing catalytic isomerization reaction.
GB 2760-1996 stipulates the permitted food spices. Formulated rose essence.
2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:192.30
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:192.151415257
Monoisotopic Mass:192.151415257
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:292
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of (2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
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CN
8 YRS
Business licensed Certified factoryManufactory Supplier of Biochemicals Ingredients,Vitamin Amino Acid Ingredients,Cosmestic Ingredients,Pharma Chemicals,Organic Fine Chemicals,Food Nutrient Ingredients,Natural Plant Ingredients,APIS Intermidiates,Daily Chemicals,Agricultural Chemicals,Surfactant Chemicals,Ultraviolet Absorbents,Antioxidant Ingredients,Scientific Research Chemical,Flavors and Fragrances ChemicalsInquiryCAS No.: 23726-92-3Grade: Food GradeContent: 99% -
CN
5 YRS
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(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
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