anethol 104-46-1

anethol

Suppliers organoleptics properties safety references cosmetics FEMA Index Home Page

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IUPAC name :

1-methoxy-4-prop-1-enylbenzene

InChI :

InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3

InChIKey :

RUVINXPYWBROJD-UHFFFAOYAK

SMILES :

COc1ccc(/C=C/C)cc1

cas number :	104-46-1
(EINECS) number :	203-205-5
fema number :	2086
coe number :	183
fl. number :	04.088
molar refractivity :	48.82 ± 0.3 cm3
parachor :	366.9 ± 4.0 cm3
index of refraction :	1.545 ± 0.02
surface tension :	31.8 ± 3.0 dyne/cm
density :	0.959 ± 0.06 g/cm3
polarizability :	19.35 ± 0.5 10-24cm3
XlogP :	3.40
XlogP3 :	3.30
molecular weight :	148.2016800 (IUPAC)
formula :	C10 H12 O
pherobase floral:	view
pherobase synth:	view
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

ANETHOL
NATURAL

ANETHOLE
NF/FCC SYNTHETIC

Polarome :

ANETHOLE
RECTIFIED, NATURAL

Shanghai Green Leaf :

Anethol
Natural

organoleptics :

properties :

appearence :

colorless to pale yellow liquid to solid

assay :

98.00 to 100.00 % sum of isomers

Food Chemicals Codex Listed :

melting point :

21.00 to 23.00 °C. @ 760.00 mm Hg

boiling point :

235.00 to 239.00 °C. @ 760.00 mm Hg

boiling point :

145.00 to 146.00 °C. @ 50.00 mm Hg

flash point :

not determined

logP (o/w) :

3.39

safety :

Oral Toxicity(LD50) :

Oral-Guineapig    2160.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Intraperitoneal-Mouse    593.00  mg/kg
Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.

Oral-Mouse    3050.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Oral-Rat    2090.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Intraperitoneal-Rat    70.00  mg/kg
Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.

Dermal Toxicity(LD50) :

Skin-Rabbit >5000.00 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 863, 1973.

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Category :

flavor and fragrance agents

safety references :

EPI System :

view

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

Cancer Citations :

Toxicology Citations :

Carcinogenic Potency Database :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

1-methoxy-4-prop-1-enylbenzene

(EINECS) number :

chemidplus :

EPA Substance Registry Services :

104-46-1

references :

1-methoxy-4-prop-1-enylbenzene

fl. number :

04.088

NIST Chemistry WebBook :

104461

pubchem :

150792

Cosmetics :

Cosmetic uses :

denaturants
masking agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

Dietary Supplements Labels Database :

RIFM :

listed

FMA :

listed

synonyms :
	acintene O
para-	anethole
	anise camphor
iso	estragole
4-	methoxy-1-propenyl benzene
1-	methoxy-4-(1-propenyl) benzene
1-	methoxy-4-prop-1-enylbenzene
1-	methoxy-4-propenyl benzene
para-	methoxy-beta-methyl styrene
4-	methoxypropenyl benzene
	monasirup
4-	propenyl anisole
para-	propenyl anisole
para-1-	propenyl anisole
para-	propenyl methoxybenzene
para-	propenyl phenyl methyl ether
Similar Products: note
(E)-	anethol
(Z)-	anethol
	dihydroanethol
soluble in :
	alcohol
	water, 111 mg/L @ 25C
potential uses :
	denaturants
natural occurrence in : note
data page	celery seed oil egypt @ 0.61%	S
data page	helichrysum arenarium (l.) moench oil hungary @ 3.20%	S
	liriodendron chinense	S
	liriodendron tulipifera	S
	magnolia grandiflora	S
	michelia compressa	S
data page	osmanthus absolute @ 0.06%	S

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