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(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one structure

CAS No:
23726-92-3
Formula:
C13H20O
Chemical Name:
(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
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:
Cosmetic Ingredient > Perfuming

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Description

colourless to pale yellow liquid with a complex fruity floral odour

(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one Basic Attributes

Molecular Weight：

192.3

Exact Mass：

192.30

EC Number：

245-842-1

UNII：

074X5R04IQ

DSSTox ID：

DTXSID6051487

HScode：

2914299000

Characteristics

PSA：

17.07000

XLogP3：

4.40

Density：

0.9±0.1 g/cm3

Boiling Point：

271.2±10.0 °C at 760 mmHg

Flash Point：

108.0±14.0 °C

Refractive Index：

1.476

Water Solubility：

192.3mg/L(temperature not stated)

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

RTECS Number：

EN0340000

Marks：

Precautionary statement(s)：

P280-P333 + P313

Hazard Statements：

H317-H413

GHS Classification：

|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

Methods of 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.

Uses

GB 2760-1996 stipulates the permitted food spices. Formulated rose essence.

Manufacturing Info：

2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

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

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China Most Professional Manufacturer Supply High Quality (Z)-beta-damascone CAS 23726-92-3

CAS No.: 23726-92-3

Grade: Food Grade

Content: 99%

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(Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

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CAS No.: 23726-92-3

Content: 99.00%

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Guide of (2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

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