1-mercaptobutane
Butyl Mercaptan
CAS: 109-79-5
Molecular Formula: C4H10S
1-mercaptobutane - Names and Identifiers
| Name | Butyl Mercaptan |
| Synonyms | Bear skunk Butanethiol n-Butanethiol 1-butanethiol n-butanethiol Butane-1-thiol Butyl Mercaptan 1-mercaptobutane N-BUTYL MERCAPTAN n-Butyl Mercaptan THIOBUTYL ALCOHOL 1-butanethiol[qr] n-Butyl Thioalcohol n-Butyl thioalcohol sodium butane-1-thiolate tin(2+) dibutane-1-thiolate |
| CAS | 109-79-5 |
| EINECS | 203-705-3 |
| InChI | InChI=1/C4H10S.Na/c1-2-3-4-5;/h5H,2-4H2,1H3;/q;+1/p-1 |
1-mercaptobutane - Physico-chemical Properties
| Molecular Formula | C4H10S |
| Molar Mass | 90.19 |
| Density | 0.842g/mLat 25°C(lit.) |
| Melting Point | −116°C(lit.) |
| Boling Point | 98°C(lit.) |
| Flash Point | 55°F |
| JECFA Number | 511 |
| Water Solubility | 0.60 g/100 mL. Slightly soluble |
| Solubility | 0.597g/l |
| Vapor Presure | 83 mm Hg ( 37.7 °C) |
| Vapor Density | 3.1 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 0.842 |
| Color | Colorless |
| Odor | Strong skunk-like. |
| Exposure Limit | NIOSH REL: 15-min ceiling 0.5 ppm (1.8 mg/m3), IDLH 500 ppm; OSHAPEL: TWA 10 ppm (35 mg/m3); ACGIH TLV: TWA 0.5 ppm (adopted). |
| Merck | 14,1577 |
| BRN | 1730908 |
| pKa | 11.51 at 25 °C (23.0% aqueous tert-butyl alcohol, Friedman et al., 1965) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with oxidizing agents, bases, alkali metals. Highly flammable. May discolour on exposure to air. |
| Sensitive | Air Sensitive |
| Explosive Limit | 1.4-11.3%(V) |
| Refractive Index | n20/D 1.443(lit.) |
| Physical and Chemical Properties | Colorless to light yellow liquid. Garlic or skunks appear to be unpleasant odors. Diluted (<0.02mg/kg) fat, stewed beef, tender boiled onions, eggs, coffee, garlic-like aroma. The boiling point of 97~98.4 deg C. Slightly soluble in oil, slightly soluble in water (0.6g/100 m1), soluble in ethanol. Natural products are found in cheese, boiled eggs, boiled or fried beef, beer, etc. |
| Use | For the synthetic rubber industry |
1-mercaptobutane - Risk and Safety
| Risk Codes | R11 - Highly Flammable R20/22 - Harmful by inhalation and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R21/22 - Harmful in contact with skin and if swallowed. R43 - May cause sensitization by skin contact |
| Safety Description | S16 - Keep away from sources of ignition. S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S9 - Keep container in a well-ventilated place. S36/37 - Wear suitable protective clothing and gloves. S33 - Take precautionary measures against static discharges. S37 - Wear suitable gloves. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 2347 3/PG 2 |
| WGK Germany | 3 |
| RTECS | EK6300000 |
| FLUKA BRAND F CODES | 10-13-23 |
| TSCA | Yes |
| HS Code | 2930 90 98 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 1500 mg/kg |
1-mercaptobutane - Nature
Open Data Verified Data
a colorless, flowable liquid with a special thiol odor. Flammable. Slightly soluble in water, very soluble in alcohol, ether. Relative density 0. 8337 (20 ℃), melting point -115.7 ℃, boiling point 98.4 ℃, refractive index 1.444, flash point 12 ℃.
Last Update：2024-01-02 23:10:35
1-mercaptobutane - Preparation Method
Open Data Verified Data
derived from the reaction of bromobutane with thiourea.
Last Update：2022-01-01 10:37:40
1-mercaptobutane - Use
Open Data Verified Data
intermediates in organic synthesis; Warning agents.
Last Update：2022-01-01 10:37:40
1-mercaptobutane - Safety
Open Data Verified Data
- This product has moderate toxicity.
- This product is made of glass bottles with external wooden boxes or calcium plastic boxes to reinforce the inner lining or iron barrels. Store in a cool, dry, ventilated silo, away from fire and heat sources, to avoid direct sunlight. With oxidants and acids and aqueous articles Isolation storage and transport.
Last Update：2022-01-01 10:37:41
1-mercaptobutane - Reference Information
| FEMA | 3478 | 1-BUTANETHIOL |
| olfactory Threshold | 0.0000028ppm |
| Henry's Law Constant | (x 10-3 atm?m3/mol):7.04 at 20 °C (approximate - calculated from water solubility and vapor pressure) |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| Use limit | FEMA: meat and meat products, soup products, spices, cured products, all 0.02mg/kg. |
| Use | GB 2760-96 is the food flavor permitted. Mainly used for cheese, beef, eggs, onions, garlic and other products. intermediate in organic synthesis; Warning agent. used in synthetic rubber industry used as solvent and intermediate in organic synthesis. |
| production method | is derived from the reaction of bromobutane with thiourea. Thiourea and butyl bromide were heated and refluxed for 3H in methanol solvent, and after methanol was recovered, diluted alkali solution was added and refluxed for 6H. Cooling, slowly add 1:2 dilute sulfuric acid to Ph 2, with the addition of dilute sulfuric acid, butanethiol distilled out. After the completion of the addition of sulfuric acid, water vapor distillation was performed until the oil-free beads were distilled off. The oil layer was separated, dried with anhydrous calcium chloride, and the 97-98 ℃ fraction was fractionated and collected to be the finished product. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1500 mg/kg; Oral-mouse LD50:3000 mg/kg |
| stimulation data | eyes-rabbit 83 mg moderate |
| explosive hazard characteristics | reaction with nitric acid |
| flammability hazard characteristics | in case of fire, high temperature, oxidant flammable; decomposition of toxic sulfide gas by heat or acid |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Heat protection, open flame, spark; And oxidant, separate storage of acids |
| fire extinguishing agent | foam |
| Occupational Standard | TWA 1.5 mg/m3; Tel 4.5 mg/m3 |
| 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 20:49:11
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