4-penten-1-yl acetate

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IUPAC name :

pent-4-enyl acetate

InChI :

InChI=1/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3

InChIKey :

LVHDNIMNOMRZMF-UHFFFAOYAY

SMILES :

CC(=O)OCCCC=C

(EINECS) number :	216-413-6
cas number :	1576-85-8
fema number :	4011
jecfa number :	1270
fl. number :	09.917
molar refractivity :	35.97 ± 0.3 cm3
parachor :	324.3 ± 4.0 cm3
index of refraction :	1.418 ± 0.02
surface tension :	26.7 ± 3.0 dyne/cm
density :	0.898 ± 0.06 g/cm3
polarizability :	14.26 ± 0.5 10-24cm3
xlogp :	1.80
molecular weight :	128.1689800
formula :	C7 H12 O2
BioActivity Analysis :	404973

fda reg :

unspecified

h. number :

2915.39.5000

organoleptics :

odor type :

green

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description¹ :
at 1.00 % in dipropylene glycol.

green plastic weedy acrylate vegetable metallic cooked meat sulfide

taste description² :

at 10.00 ppm in water.
sweet green vegetable weedy plastic grassy hay

substantivity :

< 1 hour(s) at 100.00 %

properties :

appearence :

colorless clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.90600 - 0.91600 @ 25.00 °C.

pounds per gallon - calc. :

7.539 to 7.622

refractive index :

1.41500 - 1.42100 @ 20.00 °C.

boiling point :

144.00 - 146.00 °C. @ 760.00 mm Hg

logp :

1.64

safety :

most important hazard(s) :

Xn N - Harmful, Dangerous for the environment.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

113.00 °F. TCC ( 45.00 °C. )

recommendation for 4-penten-1-yl acetate usage levels up to :

0.5000 % 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 : 20.

4011

average usual ppm

average maximum ppm

baked goods :

20.00000

40.00000

beverages(nonalcoholic) :

8.00000

16.00000

beverages(alcoholic) :

8.00000

16.00000

breakfast cereal :

cheese :

chewing gum :

100.00000

200.00000

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

16.00000

32.00000

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

20.00000

50.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

milk products :

10.00000

20.00000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

soups :

sugar substitutes :

sweet sauces :

safety links :

(EINECS) number :

chemidplus :

epa-srs :

dtp/nci :

other :

references :

pubchem :

216331

NIST Chemistry WebBook :

3485787215

reference :

Luebke, William tgsc, (2006)¹

reference :

Luebke, William tgsc, (2006)²

synonyms :
5-	acetoxy-1-pentene
	pent-4-ene-1-yl acetate
4-	penten-1-ol acetate
4-	penten-1-yl acetate
4-	pentenyl acetate
soluble in :
	alcohol
	propylene glycol
insoluble in :
	water
(odor and/or flavor) used in :
	cappuccino
	caramel
	coffee
	floral
	grass green grass
	grass sweet grass
	green
	mango
	vegetable
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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