| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | pentan-1-ol |
| InChI : | InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
| InChIKey : | AMQJEAYHLZJPGS-UHFFFAOYAF |
| SMILES : | CCCCCO |
| cas number : | 71-41-0 |
| (EINECS) number : | 200-752-1 |
| eu annex : | 603-006-00-7 |
| beilstein number : | 1730975 |
| fema number : | 2056 |
| coe number : | 514 |
| jecfa number : | 88 |
| fl. number : | 02.040 |
| molar refractivity : | 26.74 ± 0.3 cm3 |
| parachor : | 247.8 ± 4.0 cm3 |
| index of refraction : | 1.407 ± 0.02 |
| surface tension : | 27.1 ± 3.0 dyne/cm |
| density : | 0.811 ± 0.06 g/cm3 |
| polarizability : | 10.60 ± 0.5 10-24cm3 |
| XlogP : | 1.40 |
| XlogP3 : | 1.60 |
| molecular weight : | 88.1481800 (IUPAC) |
| formula : | C5 H12 O |
| BioActivity Analysis : | 48414933 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2905.15.0000 |
| fda reg : | 172.515 176.180 176.210 |
Suppliers :
|
| Inoue : | AMYL ALCOHOL
|
| Penta : | amyl alcohol
|
| SAFC Global® : | Amyl alcohol
≥99% |
| Vigon : | Amyl Alcohol Normal
FCC Odor: WINEY |
| Vigon : | Amyl Alcohol Primary
Mixed Isomers 35/65 Odor: DISAGREEABLE, ALCOHOL-LIKE |
organoleptics :
|
| odor type : | fermented |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | fusel oil sweet balsam |
odor description:
| Pungent, fermented, bready, yeasty, fusel, winey and solvent-like Mosciano, Gerard P&F 22, No. 5, 67, (1997) |
taste description: at 50.00 ppm. | Intense fusel, fermented, bready and cereal with a fruity undernote Mosciano, Gerard P&F 22, No. 5, 67, (1997) |
properties :
|
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.81000 to 0.81600 @ 25.00 °C.
|
| pounds per gallon - calc. : | 6.740 to 6.790
|
| refractive index : | 1.40700 to 1.41200 @ 20.00 °C.
|
| melting point : | -78.00 °C. @ 760.00 mm Hg
|
| boiling point : | 136.00 to 138.00 °C. @ 760.00 mm Hg
|
| vapor pressure : | 2.20000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.0 ( Air = 1 ) |
| flash point : | 120.00 °F. TCC ( 48.89 °C. )
|
| logP (o/w) : | 1.51 |
safety :
|
| most important hazard(s) : | Xn - Harmful. |
| |
R 10 - Flammable. R 20 - Harmful by inhalation. R 37 - Irritating to respiratory system. R 66 - Repeated exposure may cause skin dryness or cracking. S 02 - Keep out of the reach of children. S 23 - Do not breath fumes. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 46 - If swallowed, seek medical advice immediately and show this container or label.
|
| Oral Toxicity(LD50) : | |
| |
Oral-Rat 5660.00 ul/kg National Technical Information Service. Vol. OTS0534716
intravenous-Rat 196.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
Intraperitoneal-Rat 579.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
Intraperitoneal-Rabbit 140.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
Oral-Mouse 200.00 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(9), Pg. 88, 1970.
intravenous-Mouse 184.00 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
Intraperitoneal-Mouse 970.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
|
| Dermal Toxicity(LD50) : | |
| |
Skin-Rabbit 2830.00 ul/kg National Technical Information Service. Vol. OTS0534716
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavor and fragrance agents |
| |
| recommendation for amyl alcohol fragrance usage levels up to : |
| | not for fragrance use.
|
| recommendation for amyl alcohol flavor usage levels up to : |
| | 340.0000 ppm in the flavor.
|
safety references :
|
| EPI System : | view |
| IUCLID : | view |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Cancer Citations : | Search |
| Toxicology Citations : | 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 1105 |
| |
| WGK Germany : | 1 |
| |
| |
| |
| | pentan-1-ol |
| (EINECS) number : | 200-752-1 |
| RTECS : | 71-41-0 |
| chemidplus : | 000071410 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 71-41-0 |
| dtp/nci : | 5707 |
references :
|
| | pentan-1-ol |
| fl. number : | 02.040 |
| jecfa number : | 88 |
| NIST Chemistry WebBook : | 4084735043 |
| pubchem : | 149209 |
| Flavornet : | 71-41-0 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Household Products : | Search |