alpha-campholenic aldehyde

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IUPAC name :

1-(2,2,3-trimethyl-1-cyclopent-3-enyl)ethanone

InChI :

InChI=1/C10H16O/c1-7-5-6-9(8(2)11)10(7,3)4/h5,9H,6H2,1-4H3

InChIKey :

YXGUBJPWGFKWQA-UHFFFAOYAY

SMILES :

CC1=CCC(C1(C)C)C(=O)C

(EINECS) number :	224-815-8
cas number :	4501-58-0
fema number :	3592
coe number :	10325
jecfa number :	967
fl. number :	05.119
molar refractivity :	45.89 ± 0.3 cm3
parachor :	384.2 ± 6.0 cm3
index of refraction :	1.453 ± 0.02
surface tension :	26.3 ± 3.0 dyne/cm
density :	0.897 ± 0.06 g/cm3
polarizability :	18.19 ± 0.5 10-24cm3
xlogp :	2.00
molecular weight :	152.2334400
formula :	C10 H16 O

fda reg :

unspecified

h. number :

unspecified

organoleptics :

odor type :

herbal

odor strength :

high ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

herbal green woody amber leafy

substantivity :

8 Hour(s)

properties :

appearence :

pale yellow clear liquid

assay :

85.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.94500 - 0.95500 @ 25.00 °C.

pounds per gallon - calc. :

7.863 to 7.947

refractive index :

1.46500 - 1.48000 @ 20.00 °C.

boiling point :

83.00 - 84.00 °C. @ 1.00 mm Hg

acid value :

1.00 max. KOH/g

logp :

2.69

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

151.00 °F. TCC ( 66.11 °C. )

recommendation for alpha-campholenic aldehyde usage levels up to :

5.0000 % in the fragrance concentrate.

safety links :

(EINECS) number :

224-815-8

chemidplus :

004501580

epa-srs :

4501-58-0

other :

references :

pubchem :

163405

synonyms :
	aromavert
alpha-	campholenal
alpha-	campholenaldehyde
	campholenic aldehyde
alpha-	campholenic aldehyde
(2,3,3-	trimethyl cyclopent-3-en-1-y-2) acetaldehyde
2,2,3-	trimethyl cyclopent-3-en-1-yl acetaldehyde
(R)-2,2,3-	trimethyl cyclopent-3-ene-1-acetaldehyde
	trimethyl cyclopentenyl acetaldehyde
2,3,3-	trimethyl-1-acetaldehyde-3-cyclopentene
dextro-	trimethyl-3-cyclopentene-1-acetaldehyde
soluble in :
	alcohol
	water, slightly
insoluble in :
	water
(odor and/or flavor) used in :
	amber
	green
	herbal
	leaf
	woody
natural occurrence in :
data page	cistus oil @ 0.3%
data page	croton flavens l. (welensali) leaf oil curacao @ trace%
data page	eucalyptus dalrympleana maiden leaf oil ethiopia @ 4.00%
data page	eucalyptus delegatensis r. baker leaf oil ethiopia @ 0.40%
data page	eucalyptus globulus oil @ 0.11%
data page	eucalyptus globulus pseudoglobulus oil @ 0.17%
data page	hypericum dogonbadanicum assadi oil iran @ trace%
data page	juniper berry oil @ 0.20%
data page	labdanum leaf oil @ 0.80%
data page	labdanum oil @ 0.78%
data page	laurel leaf oil turkey @ <0.10%
data page	lemon verbena oil turkey @ 0.05%
data page	marjoram oil sweet morocco @ 1.54%
data page	myrtle oil @ 0.08%
data page	wormwood oil annus france @ 0.00-0.66%

information only - not sold by The Good Scents Company.

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