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2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal

2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal structure

CAS No:
3155-71-3
Formula:
C14H22O
Chemical Name:
2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
Synonyms:
2-Butenal,2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;1-Cyclohexene-1-crotonaldehyde,α,2,6,6-tetramethyl-;2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal;Boronal
Categories:
Cosmetic Ingredient > Perfuming

Description

BORONAL is a clear yellowish liquid with floral odor reminiscent of boronia absolute with violet accents. It can be prepared by reaction of ??-ionone with ethyl chloroacetate and hydrolysis/decarboxylation of the intermediate glycidic ester. It is used in fine fragrances for ambergris nuances in combination with sweet odor elements.

2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal Basic Attributes

Molecular Weight：

206.32388

Exact Mass：

206.32

EC Number：

221-597-6

DSSTox ID：

DTXSID9052000

HScode：

2912299000

Characteristics

PSA：

17.1

XLogP3：

4.04830

Appearance：

Colourless to Pale Yellow Liquid

Density：

0.889 g/cm3

Melting Point：

1-2 °C

Boiling Point：

45 °C @ Press: 1 x 10^-4 Torr

Flash Point：

129ºC

Refractive Index：

1.469

Safety Information

Precautionary statement(s)：

P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (20.16%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 129 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal Use and Manufacturing

Methods of Manufacturing

Using β-ionone as a raw material, it is condensed with methyl chloroformate under the participation of sodium methoxide and epoxidized to generate the corresponding methyl glycidate, which is then obtained by hydrolysis, elimination (carbonyl) and molecular rearrangement. .

Uses

Intermediate of vitamin A acetate.

Computed Properties

Molecular Weight:206.32
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:305
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal

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

2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal

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