4-penten-1-yl acetate 1576-85-8

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

cas number :	1576-85-8
(EINECS) number :	216-413-6
beilstein number :	1747236
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
NMR Predictor :	Predict

export tariff code :

2915.39.5000

fda reg :

unspecified

Suppliers :

Penta :

4-penten-1-yl acetate

Sigma-Aldrich-Aldrich :

4-Penten-1-yl acetate

organoleptics :

odor type :

green

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :¹
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 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.90600 to 0.91600 @ 25.00 °C.

pounds per gallon - calc. :

7.539 to 7.622

refractive index :

1.41500 to 1.42100 @ 20.00 °C.

boiling point :

144.00 to 146.00 °C. @ 760.00 mm Hg

vapor pressure :

4.96000 mm/Hg @ 25.00 °C.

flash point :

113.00 °F. TCC ( 45.00 °C. )

logP (o/w) :

1.64

safety :

most important hazard(s) :

Xn N - Harmful, Dangerous for the environment.

R 10 - Flammable.
R 22 - Harmful if swallowed.
R 41 - Risk of serious damage to eyes.
R 50 - Very toxic to aquatic organisms.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 39 - Wear eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

3.40 (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

4.00 (μg/capita/day)

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

not for fragrance use.

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).

The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.

publication number : 20

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 references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

UN 3272

pent-4-enyl acetate

(EINECS) number :

216-413-6

chemidplus :

001576858

EPA Substance Registry Services :

1576-85-8

dtp/nci :

102504

references :

pent-4-enyl acetate

fl. number :

09.917

jecfa number :

1270

NIST Chemistry WebBook :

3485787215

pubchem :

216331

other :

reference :

Luebke, William tgsc, (2006)¹

reference :

Luebke, William tgsc, (2006)²

synonyms :
5-	acetoxy-1-pentene
	pent-4-ene-1-yl acetate
	pent-4-enyl acetate
4-	penten-1-ol acetate
4-	pentenyl acetate
soluble in :
	alcohol
	propylene glycol
insoluble in :
	water
(odor and/or flavor) blends with :
alpha-	benzylidene methional
	cassie absolute
	cassie concrete
	cyclohexyl ethyl acetate
	dihydroxyacetophenone
2-	ethyl-4,5-dimethyl oxazole
1-	furfuryl pyrrole
	gardenia oxide
	grapefruit menthane
	green hexanal
	green methanoindene
	hemlock western oil
(E)-2-	hepten-1-al
(Z)-4-	hepten-1-al
	herbal ketone
(E)-4-	hexen-1-al
4-	hexen-1-ol
(Z)-3-	hexen-1-yl (E)-crotonate
	leafy oxime
	methyl benzyl disulfide
2-	methyl thiazole
4-(	methyl thio) butanol
3-(	methyl thio) hexanol
3-(5-	methyl-2-furyl) butanal
5-	methyl-5-hexen-2-one
2-	nonanone
(Z)-6-	nonen-1-ol
2,4-	octadien-1-al
2-	octen-1-ol
(Z)-2-	penten-1-ol
1-	penten-3-ol
	pine needle oil scotch siberia
	pinus sylvestris l. needle oil estonia
	pinus sylvestris l. needle oil yugoslavia
2-	propyl pyrazine
iso	propyl quinoline
iso	propyl tiglate
2-iso	propyl-3-(methyl thio) pyrazine
	propylene glycol acetone ketal
	spruce needle absolute
	styralyl propionate
3-	tetrahydrothiophenone
3,5,5-	trimethyl hexanol
	tropical thiazole
(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

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