3-octenoic acid 1577-19-1

3-octenoic acid

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IUPAC name :

oct-3-enoic acid

InChI :

InChI=1/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)

InChIKey :

IWPOSDLLFZKGOW-AATRIKPKBL

SMILES :

CCCCC=CCC(=O)O

cas number :	1577-19-1
(EINECS) number :	216-418-3
fema number :	4362
coe number :	10157
jecfa number :	1627
molar refractivity :	40.73 ± 0.3 cm3
parachor :	359.4 ± 4.0 cm3
index of refraction :	1.459 ± 0.02
surface tension :	34.0 ± 3.0 dyne/cm
density :	0.955 ± 0.06 g/cm3
polarizability :	16.14 ± 0.5 10-24cm3
XlogP :	2.70
molecular weight :	142.1955600
formula :	C8 H14 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

3-OCTENOIC ACID

TCI AMERICA :

3-Octenoic acid
>94.0%(GC)

organoleptics :

odor type :

fatty

odor strength :

medium

odor description :
at 100.00 %.

oily fatty

properties :

appearence :

white solid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.92800 to 0.93800 @ 20.00 °C.

pounds per gallon - calc. :

7.731 to 7.814

refractive index :

1.44300 to 1.45000 @ 20.00 °C.

boiling point :

240.00 to 242.00 °C. @ 760.00 mm Hg

vapor pressure :

0.01000 mm/Hg @ 25.00 °C.

flash point :

286.00 °F. TCC ( 141.11 °C. )

logP (o/w) :

2.66

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for 3-octenoic acid 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 : 23

average usual ppm

average maximum ppm

baked goods :

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

2.00000

10.00000

fish products :

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

imitation dairy :

0.50000

2.50000

instant coffee / tea :

jams / jellies :

meat products :

0.50000

2.50000

milk products :

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

5.00000

25.00000

snack foods :

1.00000

5.00000

soft candy :

soups :

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 3265

oct-3-enoic acid

(EINECS) number :

216-418-3

chemidplus :

001577191

EPA Substance Registry Services :

1577-19-1

references :

oct-3-enoic acid

jecfa number :

1627

pubchem :

29283276

other :

synonyms :
2-	heptene-1-carboxylic acid
	oct-3-enoic acid
delta-3-	octenoic acid
soluble in :
	alcohol
	water, slightly
insoluble in :
	water
(odor and/or flavor) blends with :
2-	acetyl pyridine
	butyl stearate
gamma-	butyrolactone
	dimethyl sulfoxide
(E)-2-	dodecen-1-ol
	furfuryl mercaptan
2-	heptyl furan
(Z)-3-	hexen-1-yl pyruvate
2-	methyl hexanoic acid
	neryl butyrate
gamma-	octalactone
	octanal / methyl anthranilate schiff's base
	octanal diethyl acetal
	perilla oil
iso	propyl myristate
(E,Z,Z)-2,4,7-	tridecatrien-1-al
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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