ChemicalBook--->CAS DataBase List--->1335-46-2

1335-46-2

1335-46-2 Structure

1335-46-2 Structure
IdentificationBack Directory
[Name]

METHYLIONONE
[CAS]

1335-46-2
[Synonyms]

lrone
Iralia
FEMA 2712
1335-46-2
methyl-ionon
METHYLIONONE
Fema no. 2711
IONONE METHYL
METHYLIONONE1
METHYLIONONE4
METHYLIONONE2
METHYLIONONE3
METHYLIONONE5
METHYLIONONE6
Ionon, Methyl-
6-methylionone
Einecs 215-635-0
BETA-METHYLIONONE
METHYLIONONE USP/EP/BP
METHYL IONONE GAMMA EXTRA
5-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-4-PENTEN-3-ONE
1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1-PENTEN-3-ONE
[EINECS(EC#)]

215-635-0
[Molecular Formula]

C14H22O
[MDL Number]

MFCD00019412
[MOL File]

1335-46-2.mol
[Molecular Weight]

206.32
Chemical PropertiesBack Directory
[Appearance]

Colorless to amber-yellow liquid; floralodor.
[Boiling point ]

305.19°C (rough estimate)
[density ]

0.9282 (rough estimate)
[FEMA ]

2714
[refractive index ]

1.6324 (estimate)
[Odor]

at 10.00 % in dipropylene glycol. orris violet powdery woody
[Odor Type]

floral
[Water Solubility ]

20mg/L(25 ºC)
[Cosmetics Ingredients Functions]

PERFUMING
FRAGRANCE
[InChI]

InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
[InChIKey]

VPKMGDRERYMTJX-CMDGGOBGSA-N
[SMILES]

C1(/C=C/C(=O)CC)C(C)=CCCC1(C)C
[LogP]

4.393 (est)
[Uses]

Perfumery, flavoring.
[EPA Substance Registry System]

Ionone, methyl- (1335-46-2)
Hazard InformationBack Directory
[Chemical Properties]

Colorless to amber-yellow liquid; floralodor.
[Occurrence]

Has apparently not been reported to occur in nature.
[Definition]

ChEBI: 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one is a sesquiterpenoid.
[Preparation]

By condensing citral and methyl ethyl ketone with subsequent cyclization of the pseudomethyl ionone.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H411-H319-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[TSCA ]

TSCA listed
[REACH Registrations]

Inactive
[Toxicity]

Both the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 5 g/kg (Moreno, 1973).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hexamethylenetetramine-->Citral-->Isoprene-->IRONE
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