| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI : | InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ |
| InChIKey : | RUVINXPYWBROJD-ONEGZZNKBR |
| SMILES : | C\C=C\C1=CC=C(C=C1)OC |
| cas number : | 4180-23-8 |
| (EINECS) number : | 224-052-0 |
| beilstein number : | 0636190 |
| fema number : | 2086 |
| coe number : | 183 |
| jecfa number : | 217 |
| fl. number : | 04.010 |
| 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 |
| BioActivity Analysis : | 125981 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2909.30.9090 |
| fda reg : | 182.60 |
Suppliers :
|
| Advanced Biotech : | anethol
99% min. (trans) natural Odor: Anise, Licorice |
| Berje : | Anethole
Natural |
| Berje : | Anethole
Synthetic |
| Citrus and Allied Essences : | Anethol
21/22 FCC |
| Citrus and Allied Essences : | Anethole
FCC (natural) |
| Fleurchem : | anethole USP
|
| Fleurchem : | anethole
natural |
| IFF : | Anethole 21/22
≥99% (trans isomer) Odor: Herbal, Anisic, Sweet Sweet, warm, anis, herbal odor |
| IFF : | Anethole USP
≥99% (trans isomer) Odor: Herbal, Anisic, Sweet Sweet, warm, anise, herbal odor. |
| John D. Walsh : | Anethol
USP |
| Mane : | anethol B21
(ex Star anise) |
| Moellhausen : | (E)-anethol
99% min. natural kosher Odor: warm, herbaceous, strong Flavor: sweet, anise, licorice |
| Penta : | anethole
|
| Penta : | anethole
natural |
| Robertet : | ANETHOL
Pur & Nat |
| SAFC Global® : | trans-Anethole
≥99%, FCC, Kosher Odor: anise; spicy; sweet |
| Symrise : | Anethol supra 21.5° C
|
| Takasago : | Anethole 21/22 USP Extra
≥99%, (Natural) Odor: Very sweet, herbaceous-warm Adds interesting fresh and fruity-anisic nuances to fragrances. |
| Takasago : | Anethole 21/22
≥98.5%, USP (Synthetic) Odor: Very sweet, herbaceous-warm Adds interesting fresh and fruity-anisic nuances to fragrances. |
| Vigon : | Anethole
Natural |
organoleptics :
|
| odor type : | anisic |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | sweet anise licorice mimosa Luebke, William tgsc, (1995) |
| odor sample from : | CA Aromatics Company Inc. |
odor description:
| Sweet, anise, licorice and medicinal Mosciano, Gerard P&F 22, No. 3, 47, (1997) |
taste description: at 10.00 ppm. | Sweet, anise, Iicorice and spicy with a lingering, sweet aftartaste Mosciano, Gerard P&F 22, No. 3, 47, (1997) |
| substantivity : | 20 hour(s) at 100.00 % |
properties :
|
| appearence : | white colorless crystals |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.98300 to 0.98800 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.180 to 8.221
|
| specific gravity : | 0.98400 to 0.99100 @ 20.00 °C.
|
| pounds per gallon - calc. : | 8.197 to 8.256
|
| refractive index : | 1.55700 to 1.56200 @ 20.00 °C.
|
| optical rotation : | -2.00 to +2.00
|
| melting point : | 21.00 to 23.00 °C. @ 760.00 mm Hg
|
| boiling point : | 234.00 to 237.00 °C. @ 760.00 mm Hg
|
| flash point : | 195.00 °F. TCC ( 90.56 °C. )
|
| logP (o/w) : | 3.39 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
|
| most important hazard(s) : | Xi - Irritant |
| |
R 43 - May cause sensitisation by skin contact. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
|
| Oral Toxicity(LD50) : | |
| |
Oral-Rat 2090.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
Intraperitoneal-Rat 900.00 mg/kg Therapie. Vol. 22, Pg. 309, 1967.
Oral-Mouse 3050.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
Intraperitoneal-Mouse 650.00 mg/kg Therapie. Vol. 22, Pg. 309, 1967.
Oral-Guineapig 2167.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
|
| Dermal Toxicity(LD50) : | |
| |
Skin-Rabbit >5000.00 mg/kg
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavor and fragrance agents |
| |
| recommendation for (E)-anethol fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
|
| recommendation for (E)-anethol flavor usage levels up to : |
| | 1500.0000 ppm in the flavor.
|
safety references :
|
| msds : | msds |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| (EINECS) number : | 224-052-0 |
| RTECS : | BZ9275000 for cas# 4180-23-8 |
| chemidplus : | 004180238 |
| EPA Substance Registry Services : | 4180-23-8 |
| dtp/nci : | 209529 |
references :
|
| | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| fl. number : | 04.010 |
| jecfa number : | 217 |
| NIST Chemistry WebBook : | 1365122448 |
| pubchem : | 162983 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |