chavicol 501-92-8

chavicol

organoleptics properties safety references FEMA Index Home Page

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IUPAC name :

4-prop-2-enylphenol

InChI :

InChI=1/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2

InChIKey :

RGIBXDHONMXTLI-UHFFFAOYAI

SMILES :

C=CCC1=CC=C(C=C1)O

cas number :	501-92-8
(EINECS) number :	207-929-2
fema number :	4075
coe number :	11218
jecfa number :	1527
fl. number :	04.058
molar refractivity :	42.04 ± 0.3 cm3
parachor :	327.6 ± 4.0 cm3
index of refraction :	1.548 ± 0.02
surface tension :	37.6 ± 3.0 dyne/cm
density :	1.014 ± 0.06 g/cm3
polarizability :	16.66 ± 0.5 10-24cm3
XlogP :	2.90
molecular weight :	134.1751000 (IUPAC)
formula :	C9 H10 O
BioActivity Analysis :	145094
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor type :

phenolic

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in dipropylene glycol.

phenolic medicinal

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.01700 to 1.02300 @ 25.00 °C.

pounds per gallon - calc. :

8.462 to 8.512

refractive index :

1.54200 to 1.54800 @ 20.00 °C.

melting point :

15.00 to 16.00 °C. @ 760.00 mm Hg

boiling point :

234.00 to 236.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

flash point :

216.00 °F. TCC ( 102.22 °C. )

logP (o/w) :

2.50

safety :

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) :

0.073 (μg/capita/day)

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

0.60 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

360 (μg/person/day)

Threshold of concern :

1800 (μg/person/day)

Structure Class :

recommendation for chavicol 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 : 22

average usual ppm

average maximum ppm

baked goods :

10.00000

50.00000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

5.00000

25.00000

cheese :

7.00000

35.00000

chewing gum :

10.00000

50.00000

condiments / relishes :

5.00000

25.00000

confectionery froastings :

10.00000

50.00000

egg products :

fats / oils :

5.00000

25.00000

fish products :

2.00000

10.00000

frozen dairy :

7.00000

35.00000

fruit ices :

10.00000

50.00000

gelatins / puddings :

granulated sugar :

gravies :

5.00000

25.00000

hard candy :

10.00000

50.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

2.00000

10.00000

milk products :

7.00000

35.00000

nut products :

other grains :

5.00000

25.00000

poultry :

2.00000

10.00000

processed fruits :

7.00000

35.00000

processed vegetables :

7.00000

35.00000

reconstituted vegetables :

7.00000

35.00000

seasonings / flavors :

5.00000

25.00000

snack foods :

20.00000

100.00000

soft candy :

10.00000

50.00000

soups :

5.00000

25.00000

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) :

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) :

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) :

0.40000

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

Chemical Carcinogenesis Research Information System :

Canada Domestic Sub. List :

Yes

4-prop-2-enylphenol

(EINECS) number :

207-929-2

chemidplus :

000501928

EPA Substance Registry Services :

501-92-8

dtp/nci :

290195

references :

4-prop-2-enylphenol

fl. number :

04.058

jecfa number :

1527

NIST Chemistry WebBook :

3546023040

pubchem :

000501928

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
4-	allyl phenol
para-	allyl phenol
4-	allylphenol
para-	hydroxyallyl benzene
3-(para-	hydroxyphenyl)-1-propene
gamma-(para-	hydroxyphenyl)-alpha-propylene
4-	prop-2-enylphenol
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	allspice oleoresin
	lauric acid
2-	propyl phenol
4-	propyl phenol
2,6-	xylenol
(odor and/or flavor) used in :
	bay
	betel
natural occurrence in :
data page	alpinia galanga oil @ 0.20%
data page	bay leaf oil @ <0.01-15.51%
data page	bay leaf oil anise @ 0.8%
data page	bay leaf oil clove @ 17.1%
	betel leaf

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