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4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one structure

CAS No:
14901-07-6
Formula:
C13H20O
Chemical Name:
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
Synonyms:
3-Buten-2-one,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one;4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one;NSC 402758;NSC 46137
Categories:
Cosmetic Ingredient > Perfuming

Description

β-Ionone has a characteristic violet-like odor, more fruity and woody than α-ionone clear slightly yellow to yellow liquidβ-Ionone has a characteristic violet-like odor, more fruity and woody than α-ionone. May be prepared by condensing citral with acetone to form pseudoionone, which is then cyclized by acid-type reagents.Colorless to light yellow liquid with an odor of cedar wood. In very dilute alcoholic solution the odor resembles odor of violets. Used in perfumery.

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one Basic Attributes

Molecular Weight：

192.3

Exact Mass：

192.30

EC Number：

201-224-3

DSSTox ID：

DTXSID9025451

HScode：

29147000

Characteristics

PSA：

17.1

XLogP3：

2.9

Appearance：

Clear slightly yellow to yellow Liquid

Density：

0.945 g/mL at 25 °C(lit.)

Melting Point：

<25 °C

Boiling Point：

127 °C

Flash Point：

230 °F

Refractive Index：

n 20/D 1.52(lit.)

Water Solubility：

Slightly water soluble .

Storage Conditions：

2-8°C

Vapor Pressure：

0.054 mm Hg at 25 deg C

Odor：

Warm woody, dry, and fruity odor

Taste：

Woody, berry, floral, green and fruity

Safety Information

Packing level：

II; III

Hazard category：

4.1

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

38-51/53-36/37/38

safety instructions：

61-36/37/39-27-26-24/25

RTECS Number：

EN0500000

Marks：

Xi,N

Stability/Shelf Life：

Stable under recommended storage conditions.

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H401

Computed Properties

Molecular Weight:192.30
XLogP3:2.9
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
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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China Largest Manufacturer Supply High Purity Irisone/beta-Ionene CAS 14901-07-6

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Guide of 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
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4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

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