2-decanone 693-54-9

2-decanone

Suppliers organoleptics properties safety references FEMA Index Home Page

Notes :

oakmoss enhancer.

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

decan-2-one

InChI :

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

InChIKey :

ZAJNGDIORYACQU-UHFFFAOYAO

SMILES :

CCCCCCCCC(=O)C

cas number :	693-54-9
(EINECS) number :	211-752-6
beilstein number :	1747463
fema number :	4271
coe number :	11055
fl. number :	07.150
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 :	3.90
molecular weight :	156.2652000 (IUPAC)
formula :	C10 H20 O
BioActivity Analysis :	48415296
NMR Predictor :	Predict

export tariff code :

2914.19.0000

fda reg :

unspecified

Suppliers :

Bedoukian Research :

METHYL OCTYL KETONE
≥99.0%, Kosher
Odor: orange-like floral.

2-Decanone
≥98%

organoleptics :

odor type :

floral

odor strength :

medium

odor description :
at 100.00 %.

orange floral

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.82100 to 0.82700 @ 25.00 °C.

pounds per gallon - calc. :

6.832 to 6.881

refractive index :

1.42300 to 1.42900 @ 20.00 °C.

melting point :

12.00 to 14.00 °C. @ 760.00 mm Hg

boiling point :

209.00 to 210.00 °C. @ 760.00 mm Hg

acid value :

3.00 max. KOH/g

vapor density :

>1 ( Air = 1 )

flash point :

185.00 °F. TCC ( 85.00 °C. )

logP (o/w) :

3.73

safety :

most important hazard(s) :

Xi - Irritant

R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.

Oral Toxicity(LD50) :

Oral-Mouse [sex: M] 7936.00 mg/kg
(Tanii et al., 1986)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.52 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

1600 (μg/person/day)

Threshold of concern :

540 (μg/person/day)

Structure Class :

recommendation for 2-decanone usage levels up to :

2.0000 % 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 : 23

average usual ppm

average maximum ppm

baked goods :

5.00000

25.00000

beverages(nonalcoholic) :

2.00000

10.00000

beverages(alcoholic) :

breakfast cereal :

2.00000

10.00000

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

4.00000

20.00000

egg products :

fats / oils :

2.00000

10.00000

fish products :

1.00000

5.00000

frozen dairy :

3.00000

15.00000

fruit ices :

3.00000

15.00000

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

1.00000

5.00000

milk products :

3.00000

15.00000

nut products :

other grains :

poultry :

processed fruits :

2.00000

10.00000

processed vegetables :

2.00000

10.00000

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

soups :

2.00000

10.00000

sugar substitutes :

sweet sauces :

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).

Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.

average usage mg/kg

maximum usage mg/kg

Dairy products, excluding products of category 02.0 (01.0) :

3.00000

15.00000

Fats and oils, and fat emulsions (type water-in-oil) (02.0) :

2.00000

10.00000

Edible ices, including sherbet and sorbet (03.0) :

3.00000

15.00000

Processed fruit (04.1) :

2.00000

10.00000

Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) :

Confectionery (05.0) :

4.00000

20.00000

Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) :

2.00000

10.00000

Bakery wares (07.0) :

5.00000

25.00000

Meat and meat products, including poultry and game (08.0) :

1.00000

5.00000

Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) :

1.00000

5.00000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

Salts, spices, soups, sauces, salads, protein products, etc. (12.0) :

2.00000

10.00000

Foodstuffs intended for particular nutritional uses (13.0) :

3.00000

15.00000

Non-alcoholic ("soft") beverages, excl. dairy products (14.1) :

2.00000

10.00000

Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) :

4.00000

20.00000

Ready-to-eat savouries (15.0) :

5.00000

25.00000

Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) :

2.00000

10.00000

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

Env. Mutagen Info. Center :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

decan-2-one

(EINECS) number :

211-752-6

RTECS :

HE0725000 for 693-54-9

chemidplus :

000693549

EPA Substance Registry Services :

693-54-9

references :

decan-2-one

fl. number :

07.150

NIST Chemistry WebBook :

2652063307

pubchem :

156080

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	decan-2-one
	methyl N-octyl ketone
	methyl octyl ketone
	octyl methyl ketone
soluble in :
	alcohol
	water, 76.8 mg/L @ 25C
insoluble in :
	water
(odor and/or flavor) blends with :
	acetyl tetralin
3-	decanone
2-	dodecanone
	frangipani absolute pink
	heliotropin
	leerall / methyl anthranilate schiff's base
alpha-	methyl naphthyl ketone
beta-	naphthyl ethyl ether
beta-	naphthyl methyl ether
	nerol oxide
	nonanal / methyl anthranilate schiff's base
	oakmoss enhancer
	ocean propanal / methyl anthranilate schiff's base
	orangeflower absolute
	petitgrain bigarade oil
	propyl anthranilate
	surfleurs d'oranger oil
	vanillin
(odor and/or flavor) used in :
	enhancer
	floral
	oakmoss mousse de chene
	orange
	orange blossom fleur d'oranger
natural occurrence in :
data page	ambrette seed oil @ 0.10%
data page	cascarilla bark oil @ 0.06%
data page	croton flavens l. (welensali) leaf oil curacao @ 0.10%
data page	rue flower oil colombia @ 1.25%
	rue oil
data page	rue oil china @ 1.31%
data page	rue oil cuba @ 0.72%
data page	violet flower absolute @ %

information only - not sold by The Good Scents Company.

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