ortho-eugenol 579-60-2

ortho-eugenol

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IUPAC name :

2-methoxy-6-prop-2-enylphenol

InChI :

InChI=1/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3

InChIKey :

LREHGXOCZVBABG-UHFFFAOYAR

SMILES :

COC1=CC=CC(=C1O)CC=C

cas number :	579-60-2
(EINECS) number :	209-444-1
fema number :	4490
jecfa number :	1528
fl. number :	04.096
molar refractivity :	48.72 ± 0.3 cm3
parachor :	384.3 ± 4.0 cm3
index of refraction :	1.535 ± 0.02
surface tension :	36.5 ± 3.0 dyne/cm
density :	1.050 ± 0.06 g/cm3
polarizability :	19.31 ± 0.5 10-24cm3
XlogP :	2.60
molecular weight :	164.2010800 (IUPAC)
formula :	C10 H12 O2
NMR Predictor :	Predict

export tariff code :

2909.50.4500

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-Aldrich :

o-Eugenol

organoleptics :

odor description :

spicy

properties :

appearence :

colorless to pale yellow clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.06500 to 1.07100 @ 25.00 °C.

pounds per gallon - calc. :

8.862 to 8.912

refractive index :

1.53500 to 1.54800 @ 20.00 °C.

boiling point :

119.00 to 121.00 °C. @ 12.00 mm Hg

boiling point :

250.00 to 251.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

flash point :

230.00 °F. TCC ( 110.00 °C. )

logP (o/w) :

2.99

safety :

most important hazard(s) :

Xn - Harmful.

R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 42/43 - May cause sensitization by inhalation and skin contact.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
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) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.12 (μg/capita/day)

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

0.20 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

420 (μg/person/day)

Threshold of concern :

1800 (μg/person/day)

Structure Class :

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 : 24

average usual ppm

average maximum ppm

baked goods :

0.20000

1.00000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

0.20000

1.00000

cheese :

0.50000

2.50000

chewing gum :

1.00000

5.00000

condiments / relishes :

0.30000

1.50000

confectionery froastings :

0.20000

1.00000

egg products :

fats / oils :

0.20000

1.00000

fish products :

0.20000

1.00000

frozen dairy :

0.50000

2.50000

fruit ices :

0.50000

2.50000

gelatins / puddings :

granulated sugar :

gravies :

0.30000

1.50000

hard candy :

1.00000

5.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

0.20000

1.00000

milk products :

0.50000

2.50000

nut products :

other grains :

0.20000

1.00000

poultry :

0.20000

1.00000

processed fruits :

0.40000

2.00000

processed vegetables :

0.40000

2.00000

reconstituted vegetables :

0.40000

2.00000

seasonings / flavors :

0.30000

1.50000

snack foods :

2.00000

10.00000

soft candy :

1.00000

5.00000

soups :

0.30000

1.50000

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) :

0.50000

2.50000

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

0.20000

1.00000

Edible ices, including sherbet and sorbet (03.0) :

0.50000

2.50000

Processed fruit (04.1) :

0.40000

2.00000

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

Confectionery (05.0) :

1.00000

5.00000

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

0.20000

1.00000

Bakery wares (07.0) :

2.00000

10.00000

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

0.20000

1.00000

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

0.20000

1.00000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

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

0.30000

1.50000

Foodstuffs intended for particular nutritional uses (13.0) :

0.50000

2.50000

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

0.20000

1.00000

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

1.00000

5.00000

Ready-to-eat savouries (15.0) :

2.00000

10.00000

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

0.50000

2.00000

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

WGK Germany :

2-methoxy-6-prop-2-enylphenol

(EINECS) number :

209-444-1

chemidplus :

000579602

EPA Substance Registry Services :

579-60-2

dtp/nci :

406351

references :

2-methoxy-6-prop-2-enylphenol

fl. number :

04.096

jecfa number :

1528

NIST Chemistry WebBook :

579602

pubchem :

10428261

other :

synonyms :
6-	allyl guaicol
ortho-	allyl guaicol
6-	allyl-2-methoxyphenol
2-	allyl-6-methoxyphenol
2-	methoxy-6-(2-propenyl) phenol
2-	methoxy-6-(2-propenyl)phenol
2-	methoxy-6-prop-2-enylphenol
soluble in :
	alcohol
	water, slightly
insoluble in :
	water
natural occurrence in :
	not found in nature

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