(E)-beta-methyl ionone 63429-28-7

(E)-beta-methyl ionone

organoleptics properties safety references FEMA Index Home Page

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IUPAC name :

(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one

InChI :

InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+

InChIKey :

LMWNGLDCJDIIBR-CMDGGOBGBW

SMILES :

CCC(=O)\C=C\C1=C(CCCC1(C)C)C

cas number :	63429-28-7
(EINECS) number :	264-140-6
fema number :	2712
molar refractivity :	66.33 ± 0.3 cm3
parachor :	530.4 ± 6.0 cm3
index of refraction :	1.514 ± 0.02
surface tension :	33.7 ± 3.0 dyne/cm
density :	0.937 ± 0.06 g/cm3
polarizability :	26.29 ± 0.5 10-24cm3
XlogP :	3.80
molecular weight :	206.3238800
formula :	C14 H22 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

floral

properties :

appearence :

pale yellow to yellow clear liquid

assay :

90.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

298.00 to 301.00 °C. @ 760.00 mm Hg

flash point :

267.00 °F. TCC ( 130.56 °C. )

logP (o/w) :

4.38

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

IFRA critical Effect :

Sensitization

Fragrance usage is RESTRICTED to :

Please review all IFRA documents for complete information. (QRA)

IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)

Category 1 :

2.00 % (1)

Category 2 :

2.60 %

Category 3 :

10.70 %

Category 4 :

32.10 %

Category 5 :

16.90 %

Category 6 :

51.40 % (1)

Category 7 :

5.40 %

Category 8 :

2.00 %

Category 9 :

5.00 %

Category 10 :

2.50 %

Category 11 :

See Note

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case (E)-beta-methyl ionone) must not exceed 5% in the candle.

safety references :

EPI System :

view

(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one

(EINECS) number :

264-140-6

chemidplus :

063429287

EPA Substance Registry Services :

63429-28-7

references :

(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-one

NIST Chemistry WebBook :

2810320773

pubchem :

3748531

other :

synonyms :
(E)-1-(2,6,6-	trimethyl-1-cyclohexen-1-yl) pent-1-en-3-one
(E)-1-(2,6,6-	trimethyl-1-cyclohexenyl)pent-1-en-3-one
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
	not found in nature

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