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| IUPAC name : | prop-2-en-1-ol |
| InChI : | InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2 |
| InChIKey : | XXROGKLTLUQVRX-UHFFFAOYAC |
| SMILES : | C=CCO |
| cas number : | 107-18-6 |
| (EINECS) number : | 203-470-7 |
| eu annex : | 603-015-00-6 |
| beilstein number : | 0605307 |
| coe number : | 2136 |
| fl. number : | 02.068 |
| molar refractivity : | 17.20 ± 0.3 cm3 |
| parachor : | 157.2 ± 4.0 cm3 |
| index of refraction : | 1.402 ± 0.02 |
| surface tension : | 24.5 ± 3.0 dyne/cm |
| density : | 0.822 ± 0.06 g/cm3 |
| polarizability : | 6.82 ± 0.5 10-24cm3 |
| XlogP : | 0.10 |
| XlogP3 : | 0.20 |
| molecular weight : | 58.0791400 (IUPAC) |
| formula : | C3 H6 O |
| BioActivity Analysis : | 72493 |
| NMR Predictor : | Predict |
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| export tariff code : | 2905.29.1000 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | Allyl alcohol
orders in chinese only. |
| Penta : | allyl alcohol
|
| Pfaltz & Bauer : | Allyl Alcohol
98.5% |
| Tokyo Chemical Industry : | Allyl Alcohol
>99.0%(GC) |
organoleptics :
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| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description: at 0.10 % in dipropylene glycol. | pungent mustard |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85100 to 0.85600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.081 to 7.123
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| refractive index : | 1.41200 to 1.41400 @ 20.00 °C.
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| melting point : | -129.00 °C. @ 760.00 mm Hg
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| boiling point : | 97.00 to 98.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 26.10000 mm/Hg @ 25.00 °C. |
| vapor density : | 2.0 ( Air = 1 ) |
| flash point : | 72.00 °F. TCC ( 22.22 °C. )
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| logP (o/w) : | 0.17 |
safety :
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| most important hazard(s) : | T N - Toxic, Dangerous for the environment. |
| |
R 10 - Flammable. R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. 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 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : | |
| |
Oral-Rat 64.00 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
Intraperitoneal-Rat 37.00 mg/kg Toxicology and Applied Pharmacology. Vol. 83, Pg. 108, 1986.
Oral-Rabbit 52.00 mg/kg National Technical Information Service. Vol. OTS0571508
Oral-Mouse 96.00 mg/kg AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958.
intravenous-Mouse 78.00 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
Intraperitoneal-Mouse 60.00 mg/kg AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958.
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| Dermal Toxicity(LD50) : | |
| |
Skin-Rabbit 45.00 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
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| Inhalation Toxicity(LC50) : | |
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Inhalation-Mouse 500.00 mg/m3/2H
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safety in use :
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| Category : | flavoring agents |
| |
| recommendation for allyl alcohol fragrance usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| IUCLID : | view |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1098 |
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| WGK Germany : | 2 |
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| |
| | prop-2-en-1-ol |
| (EINECS) number : | 203-470-7 |
| RTECS : | 107-18-6 |
| chemidplus : | 000107186 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 107-18-6 |
| dtp/nci : | 6526 |
references :
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| | prop-2-en-1-ol |
| fl. number : | 02.068 |
| NIST Chemistry WebBook : | 1467869924 |
| pubchem : | 150961 |
other :
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