(Z)-alpha-damascone

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IUPAC name :

(Z)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-2-en-1-one

InChI :

InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5-

InChIKey :

CRIGTVCBMUKRSL-ALCCZGGFBF

SMILES :

C\C=C/C(=O)C1C(=CCCC1(C)C)C

(EINECS) number :	245-845-8
cas number :	23726-94-5
coe number :	11053
fl. number :	07.225
molar refractivity :	59.82 ± 0.3 cm3
parachor :	492.0 ± 6.0 cm3
index of refraction :	1.471 ± 0.02
surface tension :	27.9 ± 3.0 dyne/cm
density :	0.898 ± 0.06 g/cm3
polarizability :	23.71 ± 0.5 10-24cm3
xlogp :	3.60
molecular weight :	192.2973000
formula :	C13 H20 O

fda reg :

unspecified

h. number :

unspecified

organoleptics :

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

floral rose apple fruity

properties :

appearence :

colorless to pale yellow clear liquid

assay :

92.00 - 100.00 %

Food Chemicals Codex Listed :

boiling point :

266.00 - 267.00 °C. @ 760.00 mm Hg

logp :

3.91

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

222.00 °F. TCC ( 105.56 °C. )

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 :

0.003 % (1)

Category 2 :

0.004 %

Category 3 :

0.02 %

Category 4 :

0.05 %

Category 5 :

0.02 %

Category 6 :

0.07 % (1)

Category 7 :

0.008 %

Category 8 :

0.10 %

Category 9 :

0.50 %

Category 10 :

0.80 %

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 (Z)-alpha-damascone) must not exceed 5% in the candle.

safety links :

(EINECS) number :

245-845-8

chemidplus :

023726945

epa-srs :

23726-94-5

ifra :

ifra - ( Found under : 1-(Trimethylcyclohexenyl/cyclohexadienyl)-2-buten-1-ones (Ro )

other :

references :

pubchem :

023726945

synonyms :
(Z)-alpha-	damascone
cis-alpha-	damascone
cis-	rose ketone-1
(Z)-1-(2,6,6-	trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
cis-1-(2,6,6-	trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) used in :
	floral
natural occurrence in :
	found in nature

information only - not sold by The Good Scents Company.

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