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Megastigmatrienone

Megastigmatrienone structure

CAS No:
13215-88-8
Formula:
C13H18O
Chemical Name:
Megastigmatrienone
Synonyms:
2-Cyclohexen-1-one,4-(2-buten-1-ylidene)-3,5,5-trimethyl-;2-Cyclohexen-1-one,4-(2-butenylidene)-3,5,5-trimethyl-;4-(2-Buten-1-ylidene)-3,5,5-trimethyl-2-cyclohexen-1-one;Megastigmatrienone;Tabanone
Categories:
Cosmetic Ingredient > Perfuming

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Description

Clear to pale yellowish liquid; Fruity floral tobacco-like aroma

Megastigmatrienone Basic Attributes

Molecular Weight：

190.281

Exact Mass：

190.28

EC Number：

236-187-2

HScode：

2914299000

Characteristics

PSA：

17.07000

XLogP3：

3.38

Appearance：

Clear to pale yellowish liquid; Fruity floral tobacco-like aroma

Density：

1.0±0.1 g/cm3

Boiling Point：

289.2±10.0 °C at 760 mmHg

Flash Point：

124.8±9.8 °C

Refractive Index：

1.540

Water Solubility：

Practically insoluble or insoluble in water

Vapor Pressure：

0.00223mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 98 companies from 3 notifications to the ECHA C&L Inventory.

Megastigmatrienone Use and Manufacturing

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:190.28
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:190.135765193
Monoisotopic Mass:190.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:327
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Megastigmatrienone (mixed isomers)

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Guide of Megastigmatrienone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Megastigmatrienone

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