What is the 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one?

4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one is , while it's Molecular Formula is C13H20O. It is an important fragrance chemical used in perfumery. The combination of a-ionone and ß-ionone is characteristic of the scent of violets and used with other components in flavoring to recreate their scent.

What is the CAS number for 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one?

The CAS number of 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one is 79-77-6.

What is the 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one?

4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one is , while it's Molecular Formula is C13H20O. It is an important fragrance chemical used in perfumery. The combination of α-ionone and β-ionone is characteristic of the scent of violets and used with other components in flavoring to recreate their scent.

What is the CAS number for 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one?

The CAS number of 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one is 79-77-6.

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

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

Q: What is 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one (79-77-6) used for?

InChI:InChI=1/C13H20O/c1-10-6-5-7-12(13(10,3)4)9-8-11(2)14/h7-10H,5-6H2,1-4H3/b9-8+/t10-/m1/s1

Name4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
CAS79-77-6
Purity99%

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Product Details

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Molecular Formula:C13H20O
Molecular Weight:192.301
Vapor Pressure:<1 hPa (25 °C)
Melting Point:-49 °C
Refractive Index:n20/D 1.52(lit.)
Boiling Point:254.816 °C at 760 mmHg
Flash Point:121.291 °C
PSA：17.07000
Density:0.944 g/cm³
LogP:3.65820

4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one(Cas 79-77-6) Usage

Definition	ChEBI: An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4.
Synthesis Reference(s)	Synthetic Communications, 17, p. 85, 1987 DOI: 10.1080/00397918708063906Tetrahedron Letters, 30, p. 645, 1989 DOI: 10.1016/S0040-4039(01)80271-9
Flammability and Explosibility	Nonflammable
Purification Methods	Convert β-ionone to the semicarbazone (m 149o) by adding 50g of semicarbazide hydrochloride and 44g of potassium acetate in 150mL of water to a solution of 85g of β-ionone in EtOH.

InChI:InChI=1/C13H20O/c1-10-6-5-7-12(13(10,3)4)9-8-11(2)14/h7-10H,5-6H2,1-4H3/b9-8+/t10-/m1/s1

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79-77-6 Process route

: 7235-40-7
beta-carotene

: 79-77-6,14901-07-6
(E)-β-ionone

: 640-49-3
4,9,13-trimethyl-15-(2,6,6-trimethylcyclohex-1-enyl)pentadeca-2,4,6,8,10,12,14-heptaenal

: 432-25-7
2,6,6-trimethylcyclohex-1-enecarbaldehyde

: 1107-26-2,4172-46-7
trans-β-apo-8'-carotenal

: 36340-49-5
5,6-epoxy-trans-β-ionone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; μ-carbido-bis[(5,10,15,20-tetraphenyl-21H,23H-porphyrinato)iron(IV)]; In benzene; at 24.84 ℃; Reagent/catalyst; Kinetics;
With tert.-butylhydroperoxide; μ-carbido bis(2,3,7,8,12,13,17,18-octapropyl-5,10,15,20-tetraazaporphinato)iron(IV); In benzene; at 25 ℃; Reagent/catalyst; Kinetics;