Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아밀 멀캅탄
아밀머캅탄 · 1-펜타네티올 · n-아밀머캡탄 · 아밀멀캅탄 · 아밀 머캅탄 · Pentanethiol · Pentane-1-thiol · 1-Pentanthiol
식별자 및 물리적 특성
| CAS No. | 110-66-7 |
|---|---|
| 분자식 | C5H12S |
| 평균 분자량 | 104.22 g/mol |
| 단동위원소 질량 | 104.06597138 g/mol |
| SMILES | CCCCCS |
| InChIKey | ZRKMQKLGEQPLNS-UHFFFAOYSA-N |
| PubChem CID | 8067 |
| ChEBI | CHEBI:173322 |
| EC No. | 203-789-1 |
| DTXSID | DTXSID9041605 |
| 현지명 | 아밀 멀캅탄 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 19.9 |
| 물질 분류 | Other Classes -> ThiolsFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| 냄새 | Penetrating, unpleasant odorMeaty odorStrong, offensive odor... Strong garlic-like odor.프로필렌 글리콜 중 0.10%. 유황 지방 볶은 고기 야채 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.8392 at 77 °F (USCG, 1999) - Less dense than waterwill float0.850 g/cu cm at 20 °CBulk density = 6.99 lb/galdensity: 0.83-0.84 at 20 °Cmercaptan content greater than 90%initial BP above 104.0 °C, final below 120 °C ... These properties vary with proportions of isomersRelative density (water = 1): 0.840.831-0.8440.84 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | LiquidWater-white to yellowish liquid ...Water-white to light-yellow liquidColorless liquid |
| 용해도 | Insoluble (NIOSH, 2024)In water, 156 mg/L at 20 °CIn water, 156 mg/L at 25 °CInsoluble in waterMiscible with ethanol, ether0.156 mg/mL at 20 °C0.16g/L |
| 인화점 | 65 °F (USCG, 1999)18 °C18 °C (64 °F) - closed cup65 °F (18 °C) (Open cup)(oc) 65 °F |
| 끓는 점 | 248 °F at 760 mmHg (USCG, 1999)126.6 °CBP: 123-124 °Cat 61.3kPa: 126.6 °C124-126 °C260 °F126 °C (lit.) |
| Decomposition | Decomposes on burning. This produces toxic and corrosive fumes including hydrogen sulfide and sulfur oxides. |
| 녹는점 | -105 °F (USCG, 1999)-75.69 °CLiquid molar volume = 0.124405 cu m/kmol. Heat of formation = -1.0979X10+8 J/kmol. Heat of fusion = 1.7531X10+7 J/kmol at melting point.-75.7 °C-104 °F-76°C |
| 증기 밀도 | 3.59 |
| 증기압 | 27.4 mm Hg ( 37.7 °C) |
| 굴절률 | n20/D 1.446(lit.) |
| FEMA | 4333 | 1-PENTANETHIOL |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 10.51±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색~황색 액체 |
| 향취 유형 | 유황의 |
| 생물학적 소스 | synthetic |
| 후각 역치 | 0.00000078ppm |
| 용해도 | 실질적으로 불용성 |
| Merck | 14,611 |
| JECFA Number | 1662 |
| BRN | 1730979 |
| 헨리 상수 | 8.7×10-4 mol/(m3Pa) at 25℃, Plyasunova et al. (2004) |
| 유전율 | 4.5499999999999998 |
| 주요 응용 | 향료 및 향 |
| InChI | 1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
| InChIKey | ZRKMQKLGEQPLNS-UHFFFAOYSA-N |
| SMILES | CCCCCS |
| LogP(분배 계수) | 2.74 |
| NIST | 1-Pentanethiol(110-66-7) |
| EPA | Amyl mercaptan (110-66-7) |
화학적 성질
clear colorless liquid; meaty aroma. slightly soluble in water, easily soluble in alcohol and ether.
안전 및 규제
| GHS 분류 | DangerH225 (12.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1472 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: 1-PentanethiolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Pentanethiol: 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: Sulfur dioxide gas is formed· 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 | A flammable liquid and dangerous fire hazard when exposed to heat or flame ... .Technical butanethiol (containing 28% of propane- and 7% of pentanethiols) is hypergolic with 96% acid.Oxidation of several thiols to the sulfonic acids by addition to stirred concentrated acid had been effected normally, but when 2 new batches of pentanethiol were used, flame was observed in the vapor phase a few seconds after addition. No unusual impurities were detected.Flammable liquid. |
| 건강 유해성 | Inhalation may cause nausea because of offensive odor. Contact with eyes or skin causes slight irritation. Ingestion may cause vomiting. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | A skin, eye, and respiratory irritant that may cause weakness and CNS depression after inhalation of high concentrations[HSDB] See THIOLS |
용도
용도
1-Pentanethiol can be used as additives for hair coloring agents.
일반 설명
1-Pentanethiol appears as a clear colorless to light-yellow liquid with an offensive odor. Flash point 65°F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. May be toxic by inhalation.
제조 및 합성 방법
제조 방법
1-Pentanethiol is synthesized from n-pentyl alcohol and hydrogen sulfide catalyzed by thorium dioxide.