2,4-hexadien-1-ol

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IUPAC name :

hexa-2,4-dien-1-ol

InChI :

InChI=1/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3

InChIKey :

MEIRRNXMZYDVDW-UHFFFAOYAH

SMILES :

CC=CC=CCO

(EINECS) number :	203-853-9
cas number :	111-28-4
fema number :	3922
coe number :	2162
jecfa number :	1174
fl. number :	02.162
molar refractivity :	31.49 ± 0.3 cm3
parachor :	262.0 ± 4.0 cm3
index of refraction :	1.472 ± 0.02
surface tension :	29.6 ± 3.0 dyne/cm
density :	0.873 ± 0.06 g/cm3
polarizability :	12.48 ± 0.5 10-24cm3
xlogp :	1.30
molecular weight :	98.1430000
formula :	C6 H10 O

fda reg :

unspecified

h. number :

2916.19.4000

organoleptics :

odor type :

green

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

musty green sweet marzipan almond nutty

taste description³ :

at 10.00 - 40.00 ppm.
Fruity and tropical with a slight green and vegetative nuance

properties :

appearence :

colorless clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.88000 - 0.90000 @ 25.00 °C.

pounds per gallon - calc. :

7.322 to 7.489

refractive index :

1.49000 - 1.51000 @ 20.00 °C.

boiling point :

90.00 °C. @ 20.00 mm Hg

boiling point :

179.00 - 180.00 °C. @ 760.00 mm Hg

logp :

1.39

safety :

most important hazard(s) :

Xi - Irritant

Oral Toxicity(LD50) :

Oral-Rat 2140.00 ul/kg

Dermal Toxicity(LD50) :

Skin-Rabbit 1010.00 ul/kg

flash point ( Deg. F. ) :

160.00 °F. TCC ( 71.11 °C. )

recommendation for 2,4-hexadien-1-ol usage levels up to :

8.0000 % in the fragrance concentrate.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).

publication number : 19. Updated in publication number(s) : 20

3922

average usual ppm

average maximum ppm

baked goods :

beverages(nonalcoholic) :

1.00000

6.00000

beverages(alcoholic) :

0.50000

1.00000

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

2.00000

4.00000

confectionery froastings :

0.10000

1.00000

egg products :

fats / oils :

fish products :

frozen dairy :

2.00000

4.00000

fruit ices :

gelatins / puddings :

0.70000

2.00000

granulated sugar :

0.07300

gravies :

0.30000

3.00000

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

1.00000

2.00000

meat products :

milk products :

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

0.10000

0.50000

snack foods :

0.40000

soft candy :

1.00000

2.00000

soups :

0.13000

sugar substitutes :

sweet sauces :

safety links :

(EINECS) number :

203-853-9

chemidplus :

111-28-4

epa-srs :

111-28-4

other :

references :

pubchem :

29226843

reference :

Mosciano, Gerard P&F 25, No. 5, 72, (2000)³

synonyms :
	hexa-2,4-dien-1-ol
2,4-	hexadien-1-ol
2,4-	hexadienol
1-	hydroxy-2,4-hexadiene
	mimoril
	sorbic alcohol
	sorbinic alcohol
	sorbyl alcohol
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) used in :
	almond
	apple
	asparagus
	fresh
	green
	herbal
	kiwi
	mango
	nut
	pear
	pineapple
natural occurrence in :
	asparagus
	naranjilla fruit

information only - not sold by The Good Scents Company.

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