2-Pentanol CAS 6032-29-7
Introduction：Basic information about 2-Pentanol CAS 6032-29-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Pentanol Basic informationDescription References
| Product Name: | 2-Pentanol |
| Synonyms: | (+/-)-2-PENTANOL;2-Pentyl alcohol;(RS)-2-Pentanol;1-Methylbutanol;alcoold’amylesecondaire;Isoamyl alcohol, secondary;isoamylalcohol(secondary);isoamylalcohol,secondary |
| CAS: | 6032-29-7 |
| MF: | C5H12O |
| MW: | 88.15 |
| EINECS: | 227-907-6 |
| Product Categories: | Alcohols;Building Blocks;C2 to C6;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;alcohol Flavor;bc0001 |
| Mol File: | 6032-29-7.mol |
2-Pentanol Chemical Properties
| Melting point | -50 °C |
| Boiling point | 118-119 °C (lit.) |
| density | 0.812 g/mL at 25 °C (lit.) |
| vapor density | 3 (vs air) |
| vapor pressure | 3 hPa (20 °C) |
| refractive index | n |
| FEMA | 3316 | 2-PENTANOL |
| Fp | 93 °F |
| storage temp. | Store below +30°C. |
| solubility | 166g/l |
| pka | 15.31±0.20(Predicted) |
| form | Liquid |
| color | Clear colorless |
| Odor | at 100.00 %. mild green fusel oil fermented |
| Relative polarity | 0.488 |
| Odor Threshold | 0.29ppm |
| Odor Type | fermented |
| biological source | synthetic |
| explosive limit | 1.2-10.5%(V) |
| Water Solubility | 16.6 g/ 100 mL (20 ºC) |
| Merck | 14,7119 |
| JECFA Number | 280 |
| BRN | 1718819 |
| Dielectric constant | 13.8（22℃） |
| Major Application | cleaning products cosmetics food and beverages personal care |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 |
| InChIKey | JYVLIDXNZAXMDK-UHFFFAOYSA-N |
| SMILES | CCCC(C)O |
| LogP | 1.22 |
| CAS DataBase Reference | 6032-29-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Pentanol(6032-29-7) |
| EPA Substance Registry System | 2-Pentanol (6032-29-7) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 10-20-37-66 |
| Safety Statements | 46 |
| RIDADR | UN 1105 3/PG 3 |
| OEB | A |
| OEL | TWA: 100 ppm (360 mg/m3), STEL: 125 ppm (450 mg/m3) |
| WGK Germany | 1 |
| RTECS | SA4900000 |
| Autoignition Temperature | 649 °F |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29051500 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Inhalation Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
| Toxicity | LD50 orally in Rabbit: 1470 mg/kg LD50 dermal Rabbit 5250 mg/kg |
| Description | 2-Pentanol is a clear liquid that is soluble in water and alcohol. It has a fermented, alcoholic smell. It is used as a flavor and fragrance agent and applied in foods which require a crisp herbal or fruity smell and flavors such as dill, cucumber, cilantro, melon, rhubarb, guava, or tomato. It is used in baked goods, puddings, gravies, meat products, seasonings, soups, and non-alcoholic beverages. 2-pentanol is also used as a solvent and intermediate for the synthesis of other chemicals. |
| References | [1] https://en.wikipedia.org/wiki/2-Pentanol |
| Chemical Properties | clear colourless liquid |
| Chemical Properties | Amyl alcohols (pentanols) have eight isomers.All are flammable, colorless liquids, except the isomer 2,2-dimethyl-1-propanol, which is a crystalline solid. |
| Chemical Properties | 2-Pentanol has a mild green, fusel-oil odor. This compound is also reported as having a winy, ethereal odor. |
| Occurrence | Reported found in banana, Satsuma mandarin peel oil, peach, raw asparagus, vinegar, wheaten bread, cheddarcheese, Swiss cheese, other cheeses, roasted barley, roasted filbert, roasted peanut, plum brandy, Bourbon vanilla, Chinese quince,apple, orange juice, bilberry, cranberry, guava, grapes, melon, papaya, pineapple, strawberry, ginger, butter, chicken fat, hop oil,beer, cognac, Scotch whiskey, rum, cider, red wine, cocoa, tea, oats, honey, soybean, coconut meat, passion fruit, beans, mushroom,starfruit, mango, malt, mountain papaya, endive, shrimp, naranjilla fruit and cape gooseberry. |
| Uses | (±)-2-Pentanol is a widely used solvent and a building block used in the synthesis of consumer products. |
| Uses | 2-Pentanol is a secondary alcohol that can be used as:
|
| Preparation | By catalytic reduction of methyl n-propyl ketone. |
| Definition | ChEBI: A secondary alcohol that is pentane substituted at position 2 by a hydroxy group. |
| General Description | 2-Pentanol, a secondary alcohol, is a volatile organic compound (VOC) that is a common aroma-active component of food and beverage products. |
| Safety Profile | Moderately toxic by ingestion and intraperitoneal routes. A narcotic. A skin and severe eye irritant. Flammable liquid when exposed to heat or flame; can react with oxidzing materials. A severe explosion hazard when exposed to heat or flame. To fight fire, use alcohol foam, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOLS |
| Potential Exposure | (n-isomer); Suspected reprotoxic hazard,Primary irritant (w/o allergic reaction), (iso-, primary):Possible risk of forming tumors, Primary irritant (w/o allergicreaction), (sec-, active primary-, and other isomers)Primary irritant (w/o allergic reaction). Used as a solvent inorganic synthesis and synthetic flavoring, pharmaceuticals,corrosion inhibitors; making plastics and other chemicals;as a flotation agent. The (n-isomer) is used in preparationof oil additives, plasticizers, synthetic lubricants, and as asolvent. |
| Shipping | UN2811 Pentanols, Hazard Class: 3; Labels: 3-Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class:3; Labels: 3-Flammable liquid. |
| Purification Methods | Refluxed it with CaO, distil it, then reflux it with magnesium and again fractionally distil it. [Beilstein 1 IV 1655.] |
| Incompatibilities | Forms an explosive mixture with air.Contact with strong oxidizers and hydrogen trisulfide maycause fire and explosions. Incompatible with strong acids.Violent reaction with alkaline earth metals forming hydrogen,a flammable gas. |
| Waste Disposal | Dissolve or mix the materialwith a combustible solvent and burn in a chemical incineratorequipped with an afterburner and scrubber. All federal,state, and local environmental regulations must beobserved. |
2-Pentanol Preparation Products And Raw materials
| Raw materials | 1,5-HEXANEDIOL-->3-Pentanol-->n-C3H7CH(CH3)OOH-->1-Ethylpropyl hydroperoxide |
| Preparation Products | 2-Pentanone-->1,4-PENTANEDIOL-->Pentobarbital-->1-METHYLBUTYL ACETATE-->6-UNDECANOL-->(S)-(+)-2-Pentanol-->pentan-2-yl carbonochloridate-->methyl 1-methylbutyl ether |
