3-decanone 928-80-3

3-decanone

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IUPAC name :

decan-3-one

InChI :

InChI=1/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3

InChIKey :

XJLDYKIEURAVBW-UHFFFAOYAI

SMILES :

CCCCCCCC(=O)CC

cas number :	928-80-3
(EINECS) number :	213-183-9
beilstein number :	1748021
fema number :	3966
coe number :	11056
jecfa number :	1118
fl. number :	07.151
molar refractivity :	48.40 ± 0.3 cm3
parachor :	435.0 ± 4.0 cm3
index of refraction :	1.421 ± 0.02
surface tension :	27.0 ± 3.0 dyne/cm
density :	0.819 ± 0.06 g/cm3
polarizability :	19.19 ± 0.5 10-24cm3
XlogP :	3.50
molecular weight :	156.2652000
formula :	C10 H20 O
NMR Predictor :	Predict

export tariff code :

2914.19.0000

fda reg :

unspecified

Suppliers :

Bedoukian Research :

ETHYL HEPTYL KETONE
≥98.0%, Kosher
Odor: waxy fruity.

Penta :

3-decanone

Sigma-Aldrich-SAFC :

3-Decanone
Kosher

organoleptics :

odor type :

waxy

odor strength :

medium

odor description :
at 100.00 %.

waxy fruity citrus orange floral green

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.81900 to 0.82900 @ 25.00 °C.

pounds per gallon - calc. :

6.815 to 6.898

refractive index :

1.42200 to 1.43200 @ 20.00 °C.

melting point :

2.00 to 2.50 °C. @ 760.00 mm Hg

boiling point :

203.00 to 205.00 °C. @ 760.00 mm Hg

boiling point :

71.00 °C. @ 4.00 mm Hg

acid value :

2.00 max. KOH/g

vapor pressure :

0.44900 mm/Hg @ 25.00 °C.

vapor density :

>1 ( Air = 1 )

flash point :

145.00 °F. TCC ( 62.78 °C. )

logP (o/w) :

3.56

safety :

most important hazard(s) :

Xi - Irritant

R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.

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) :

3.00 (μg/capita/day)

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

3.00 (μg/capita/day)

recommendation for 3-decanone usage levels up to :

1.0000 % 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).

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 :

8.00000

15.00000

beverages(nonalcoholic) :

5.00000

10.00000

beverages(alcoholic) :

5.00000

10.00000

breakfast cereal :

cheese :

chewing gum :

30.00000

60.00000

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

6.00000

12.00000

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

8.00000

15.00000

imitation dairy :

6.00000

12.00000

instant coffee / tea :

jams / jellies :

meat products :

milk products :

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...

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

decan-3-one

(EINECS) number :

213-183-9

chemidplus :

000928803

EPA Substance Registry Services :

928-80-3

references :

decan-3-one

fl. number :

07.151

jecfa number :

1118

NIST Chemistry WebBook :

3496888694

pubchem :

156914

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	decan-3-one
	ethyl heptyl ketone
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	allyl heptanoate
	allyl nonanoate
	allyl octanoate
iso	amyl isobutyrate
	bitter orange oil
	blood orange oil
	blood orange oil (citrus sinensis l. var. sanguinello) italy
	blood orange oil (citrus sinensis l. var. tarocco) italy
	cardamom liquid resin
2,4-	decadien-1-al
(Z)-4-	decen-1-al
4-	decen-1-al
(Z)-4-	decen-1-al diethyl acetal
(Z)-4-	decen-1-ol
	decyl butyrate
(E,E)-2,4-	dodecadien-1-ol
	dodecane nitrile
	ethyl (E)-2-decenoate
	ethyl (E)-4-decenoate
	ethyl decanoate
	ethyl palmitate
	ethyl undecylenate
1-	furfuryl pyrrole
(E)-	geranyl acetone
	geranyl hexanoate
3-	hexanone
(Z)-3-	hexen-1-yl 2-methyl-2-pentenoate
(E)-2-	hexen-1-yl acetate
(Z)-3-	hexen-1-yl hexanoate
(Z)-3-	hexen-1-yl propionate
	hexyl 2-methyl butyrate
	hexyl phenyl acetate
	jasmin absolute
	mandarin oil italy
	methyl 2-undecynoate
	methyl 2,4-decadienoate
	methyl butyl phenyl acetate
	methyl citronellate
	methyl undecanoate
2-	nonanol
(E)-2-	nonen-1-yl acetate
	nootkatone
	octanal
	octanal glycol acetal
(E)-2-	octen-1-yl acetate
(E)-2-	octen-1-yl butyrate
	octyl 2-methyl butyrate
	orange fruit oil
	orange oil
	orange oil bitter
	orange oil terpeneless
	orange peel oil bitter china
	orange peel oil bitter italy
	orange peel oil bitter terpeneless
	orange peel oil sweet c.p. california
	orange peel oil sweet c.p. china
	orange peel oil sweet c.p. egypt
	orange peel oil sweet c.p. florida
	orange peel oil sweet c.p. valencia
	orange peel oil sweet distilled
	phytyl acetate
alpha-	sinensal
	tangerine oil
(E)-2-	tridecen-1-yl acetate
2-	undecanone
(E)-2-	undecen-1-al
(odor and/or flavor) used in :
	beeswax cire d'abeille
	citrus
	fruit
	rose
	sandalwood
	waxy
	woody
natural occurrence in :
	banana
	butter heated butter
	lemon oil
	mushroom
	shrimp cooked shrimp

information only - not sold by The Good Scents Company.

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