3-methylbutanoI
3-Methyl-1-butanol
CAS: 123-51-3
Molecular Formula: C5H12O
3-methylbutanoI - Names and Identifiers
3-methylbutanoI - Physico-chemical Properties
| Molecular Formula | C5H12O |
| Molar Mass | 88.15 |
| Density | 0.809g/mLat 25°C(lit.) |
| Melting Point | -117 °C |
| Boling Point | 131-132°C |
| Flash Point | 109.4°F |
| JECFA Number | 52 |
| Water Solubility | 25 g/L (20 ºC) |
| Solubility | 25g/l |
| Vapor Presure | 2 mm Hg ( 20 °C) |
| Vapor Density | 3 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 0.813 (15/4℃) |
| Color | <20(APHA) |
| Odor | Mild odor; alcoholic, non-residual. |
| Exposure Limit | NIOSH REL: TWA 100 ppm (360 mg/m3), IDLH 500 ppm; OSHA PEL: TWA100 ppm; ACGIH TLV: TWA 100 ppm, STEL 125 ppm (adopted). |
| Maximum wavelength(λmax) | ['λ: 260 nm Amax: 0.06', , 'λ: 280 nm Amax: 0.06'] |
| Merck | 14,5195 |
| BRN | 1718835 |
| pKa | >14 (Schwarzenbach et al., 1993) |
| PH | 7 (25g/l, H2O, 20℃) |
| Storage Condition | room temp |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, acid chlorides, acid anhydrides. |
| Explosive Limit | 1.2-9%, 100°F |
| Refractive Index | n20/D 1.407 |
| Physical and Chemical Properties | Also known as 3-methyl -1-butanol, isobutyl methanol. Colorless transparent liquid with an unpleasant odor. Melting Point -117.2 °c. Boiling point 130.5 °c. 0.812. 1.4084. Viscosity (24 C) 3.86mPa-s. Flash point (Open Cup) 56 °c. Isoamyl alcohol slightly soluble in water, soluble in alcohol, ether ketone, benzene, chloroform and petroleum ether. An azeotrope can be formed with water with a water content of 49.6% by mass. |
| Use | Used in the manufacture of spices, pharmaceutical and photographic drugs, can also be used as a solvent |
3-methylbutanoI - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R10 - Flammable R20 - Harmful by inhalation R37 - Irritating to the respiratory system R66 - Repeated exposure may cause skin dryness or cracking R20/22 - Harmful by inhalation and if swallowed. |
| Safety Description | S46 - If swallowed, seek medical advice immediately and show this container or label. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1105 3/PG 3 |
| WGK Germany | 1 |
| RTECS | EL5425000 |
| TSCA | Yes |
| HS Code | 29335995 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 7.07 ml/kg (Smyth) |
3-methylbutanoI - Upstream Downstream Industry
| Raw Materials | Fuseloil |
| Downstream Products | Isovaleric acid Buprofezin Isoamyl acetate 3-Methyl-1-butanol norfloxacin Bromisoval Isopentyl nitrite Isoamyl acetate |
3-methylbutanoI - Reference Information
Open Data Unverified Data
| FEMA | 2057 | ISOAMYL ALCOHOL |
| pH range of acid-base indicator discoloration | 5.6 at 25g/l at 20°C |
| olfactory Threshold | 0.0017ppm |
| Henry's Law Constant | 33.1 at 37 °C (Bylaite et al., 2004) |
| LogP | 1.35 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | determined by gas chromatography (GT-10-4) using a non-polar column method. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Soft drink 17; Cold drink 7.6; Candy 52; Baked goods 24; pudding 46; Gum 300; Alcohol 100. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-96 specifies the permitted use of flavorants. Mainly used in the preparation of apple and banana flavor. used as chromatographic analysis reagent and extractant, also used in pharmaceutical industry, etc. used in the manufacture of spices, pharmaceuticals and mineral processing agents, it can also be used as a solvent The product has an Apple-brandy aroma and a spicy flavor. China's GB 2760-86 for the permitted use of edible spices, mainly for the preparation of apple and banana flavor. Isoamyl alcohol is esterified with sodium nitrite to obtain isoamyl nitrite, which is the fastest acting nitrite short-acting vasodilator. Isoamyl alcohol is also used in the synthesis of the sedative hypnotics bromina and Amit. Isoamyl alcohol can also be used as a solvent and reagent for chemical analysis. It is also used as a raw material for the production of plasticizers and photographic drugs. It is also a component of fuel oil. used in the manufacture of spices, pharmaceutical and photographic medicines, can also be used as solvent fat, resin, alkaloid solvent, determination of fat in milk, determination of iron, silicon, thorium and fusel oil, etc. It is also used for complexation extraction of iron, cobalt, copper salts and diphenylcarbazide. Separation of lithium chloride from other alkali metal chlorides. |
| production method | the product is naturally present in the form of Ester in strawberry, pepper mint, citronella, ammonium leaf oil and rum, etc. It can be obtained by the acid-generating method or the carbonyl synthesis of a C4 olefin. 3-methyl -1-butanol (85% in fusel oil) can be obtained by chemical treatment and distillation separation of starch and sugar-dense alcohol fermentation by-product fusel oil. obtained by fractionation of fusel oil. It is obtained by chlorination and hydrolysis of pentane to form mixed alcohol, and then fractionation. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1300 mg/kg; Intraperitoneal-mouse LD50: 233 mg/kg |
| stimulation data | Skin-rabbits 20 mg/24 h moderate; eye-rabbit 20 mg/24 h moderate |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| Occupational Standards | TLV-TWA 100 PPM (360 mg/m3); Tel 125 PPM (450 mg/m3) |
| spontaneous combustion temperature | 644 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentration | 500 ppm |
Last Update：2024-04-09 19:43:38
3-methylbutanoI - Nature
Open Data Verified Data
colorless transparent liquid. There is a special unpleasant smell. With ethanol, ether, benzene, chloroform, petroleum ether, acetic acid, oil phase miscibility. Slightly soluble in water (14 °c, 2g/100ml). Its vapor and air to form an explosive mixture, fire, high heat caused by combustion explosion. A strong reaction with an oxidizing agent can occur. In case of high heat, the internal pressure of the container increases, and there is a risk of cracking and explosion.
Last Update：2024-01-02 23:10:35
3-methylbutanoI - Preparation Method
Open Data Verified Data
The isoamyl alcohol was boiled with the potassium hydroxide solution, washed with dilute phosphoric acid, dried and distilled to give pure isoamyl alcohol.
Last Update：2022-01-01 09:26:48
3-methylbutanoI - Use
Open Data Verified Data
used as extractant, such as complexation extraction of iron, cobalt, copper salts, diphenyl carbazide. For the separation of lithium chloride in alkali metal chlorides.
Last Update：2022-01-01 09:26:48
3-methylbutanoI - Safety
Open Data Verified Data
rat oral LD50:7.07/kg. Inhalation, ingestion or absorption through the skin is harmful to the body, its vapor or smoke on the eyes, skin, mucous membranes and respiratory tract irritation, may cause nervous system dysfunction, prolonged exposure to anesthesia. This substance may be harmful to the environment, and special attention should be paid to the water body. Store in a cool, ventilated warehouse. Keep away from fire and heat source. Protection from direct sunlight. Keep the container sealed. Should be stored separately from the oxidant.
Last Update：2022-01-01 09:26:49
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View History
3-methylbutanoI
2-[[(2,5-dimethoxyphenyl)sulfonyl](methyl)amino]-N-(2-methoxyphenyl)acetamide
723745-58-2
(3aR,4R,6S,6aS)-methyl4-(tert-butoxycarbonyl)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate
20905-89-9
1H-Pyrrole,3-ethyl-4-methyl-2-[(3,4,5-trimethyl-2H-pyrrol-2-ylidene)methyl]-(9CI)
1-Amino-2-nitro-9H-fluoren-9-one
(S)-1-(tert-buto×ycarbonyl)pyrrolidine-2-carbo×ylic acid N-Boc-L-Proline
1,3-Diphenyl-2-thioxohexahydropyrimidine-4,6-dione
N-2-(4-Benzyloxy-3-methoxyphenethyl)-4-benzyloxy -3-hydroxyphenylacetamide
2-[[(2,5-dimethoxyphenyl)sulfonyl](methyl)amino]-N-(2-methoxyphenyl)acetamide
723745-58-2
(3aR,4R,6S,6aS)-methyl4-(tert-butoxycarbonyl)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate
20905-89-9
1H-Pyrrole,3-ethyl-4-methyl-2-[(3,4,5-trimethyl-2H-pyrrol-2-ylidene)methyl]-(9CI)
1-Amino-2-nitro-9H-fluoren-9-one
(S)-1-(tert-buto×ycarbonyl)pyrrolidine-2-carbo×ylic acid N-Boc-L-Proline
1,3-Diphenyl-2-thioxohexahydropyrimidine-4,6-dione
N-2-(4-Benzyloxy-3-methoxyphenethyl)-4-benzyloxy -3-hydroxyphenylacetamide
Raw Materials for 3-methylbutanoI
Downstream Products for 3-methylbutanoI