N-부틸메르캅탄
1-뷰틸머캅탄 · N-부틸메르캅탄 · 부탄에티올 · 부틸머캡탄(부틸메르캅탄) · 1-뷰틸 머캅탄 · 1-부탄티올 · 1-BUTANETHIOL · butane-1-thiol
식별자 및 물리적 특성
| CAS No. | 109-79-5 |
|---|---|
| 분자식 | C4H10S |
| 평균 분자량 | 90.19 g/mol |
| 단동위원소 질량 | 90.05032132 g/mol |
| SMILES | CCCCS |
| InChIKey | WQAQPCDUOCURKW-UHFFFAOYSA-N |
| PubChem CID | 8012 |
| ChEMBL | CHEMBL3188256 |
| ChEBI | CHEBI:177389 |
| EC No. | 203-705-3 |
| DTXSID | DTXSID6026824 |
| 현지명 | N-부틸메르캅탄 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 13.1 |
| 물질 분류 | Other Classes -> ThiolsFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | log Kow = 2.28 |
| 냄새 | Strong, obnoxious odorHeavy skunk odorStrong, garlic-, cabbage-, or skunk like odor.스컹크 냄새가 심해요 |
| 맛 | BITTER TASTE AT LOW LEVELS |
| 식품 첨가물 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.841 at 68 °F (USCG, 1999) - Less dense than waterwill float0.83679 at 25 °C/4 °CRelative density (water = 1): 0.830.842-0.8470.8416 @ 20°C0.842 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 0.56 cP at 20 °C |
| Color/Form | Colorless liquidMobile liquid |
| 용해도 | 0.06 % (NIOSH, 2024)Slightly soluble in chloroformVery soluble in alcohol, ether, liquid hydrogen sulfideIn water, 595 mg/L at 25 °C0.597 mg/mL at 20 °CSolubility in water, g/100ml: 0.060.597g/L |
| 인화점 | 55 °F (USCG, 1999)2 °C35 °F (2 °C) (Closed cup)2 °C c.c. |
| 녹는점 | −116 °C(lit.) |
| 끓는 점 | 98 °C(lit.) |
| 증기 밀도 | 3.1 (vs air) |
| 증기압 | 83 mm Hg ( 37.7 °C) |
| 굴절률 | n20/D 1.443(lit.) |
| FEMA | 3478 | 1-BUTANETHIOL |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 11.51 at 25 °C (23.0% aqueous tert-butyl alcohol, Friedman et al., 1965) |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 비중 | 0.842 |
| 향취 유형 | 유황의 |
| 후각 역치 | 0.0000028ppm |
| 생물학적 소스 | synthetic |
| 폭발한계 | 1.4-11.3%(V) |
| 용해도 | 0.60g/100mL. 약간 용해됨 |
| 비열 | Cp(liquid): 1.9 J/(g·K), at 25℃ |
| Merck | 14,1577 |
| JECFA Number | 511 |
| BRN | 1730908 |
| 헨리 상수 | (x 10-3 atmm3/mol): 7.04 at 20 °C (approximate - calculated from water solubility and vapor pressure) |
| 유전율 | 4.9500000000000002 |
| 안정성 | 안정적인. 산화제, 염기, 알칼리 금속과 호환되지 않습니다. 가연성이 높습니다. 공기에 노출되면 변색될 수 있습니다. |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| InChI | 1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3 |
| InChIKey | WQAQPCDUOCURKW-UHFFFAOYSA-N |
| SMILES | CCCCS |
| LogP(분배 계수) | 2.28 |
| NIST | 1-Butanethiol(109-79-5) |
| EPA | Butyl mercaptan (109-79-5) |
화학적 성질
Butanethiol is also known as butyl mercaptan. It is a volatile, highly flammable clear to yellowish liquid with an extremely foul-smelling, strong, garlic-, cabbageor skunk-like Butanethiol is also known as butyl mercaptan. It is a volatile, highly flammable clear to yellowish liquid with an extremely foul-smelling, strong, garlic-, cabbageor skunk-like
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P317, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1734 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| 규제 정보 | Chemical: 1-Butanethiol1-Butanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanethiol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/200751-Butanethiol: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: Irritating sulfur dioxide may form.· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| 화재 가능성 | Dangerous by exposure to heat, flame, sparks or powerful oxidizers.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire.Vapor/air mixtures are explosive. |
| 건강 유해성 | Inhalation causes loss of sense of smellmuscular weakness. convulsions, and respiratory paralysis may follow prolonged exposure. Contact of liquid with eyes or skin causes slight irritation. Ingestion causes nausea. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 |
용도
개요
Butane thiol, also known as butyl mercaptan, is a volatile, clear to yellowish liquid with a fetid (extremely foul-smelling) odor, commonly described as "skunk" odor. In fact, butanethiol is structurally similar to several major constituents of a skunk's defensive spray but is not actually present in the spray. The scent of butanethiol is so strong that the human nose can easily detect it in the air at concentrations as low as 10 parts per billion. The threshold level for 1-butane thiol is reported as 1.4 ppb.
출처
Reported found in beef, cheddar cheese, raw chicken, cooked potatoes, beer and boiled eggs.
용도
Butanethiol is used as an industrial solvent , and as an intermediate for cotton defoliants. It is some times placed in the "stink bombs" and "stink perfumes" for prankster.
일반 설명
Butanethiol is also known as butyl mercaptan. It is a volatile, clear to yellowish liquid with an extremely foul smell, with a strong, garlic-, cabbage-, or skunk-like odour. It is slightly oily in nature. Butanethiol is used as a chemical intermediate in the production of insecticides and herbicides. It is also used as a gas odorant.
제조 및 합성 방법
생산 방법
Butanethiol is produced from n-Butanol plus Hydrogen sulfide over catalyst.