프로필메르캅탄
프로필머캅탄 · 프로필메르캅탄 · 프로필 머캅탄 · Propanethiol · NPM · PROPYL MERCAPTAN · N-PROPYL MERCAPTAN · Propane-1-thiol
식별자 및 물리적 특성
| CAS No. | 107-03-9 |
|---|---|
| 분자식 | C3H8S |
| 평균 분자량 | 76.16 g/mol |
| 단동위원소 질량 | 76.03467126 g/mol |
| SMILES | CCCS |
| InChIKey | SUVIGLJNEAMWEG-UHFFFAOYSA-N |
| PubChem CID | 7848 |
| ChEMBL | CHEMBL1236818 |
| ChEBI | CHEBI:8473 |
| EC No. | 203-455-5 |
| DTXSID | DTXSID5026750 |
| 현지명 | 프로필메르캅탄 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 4 |
| 형식 전하 | 0 |
| 복잡도 | 7.2 |
| 물질 분류 | Other Classes -> ThiolsFlammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies notation |
| LogP(분배 계수) | log Kow = 1.811.7 (estimated) |
| 냄새 | OffensiveCharacteristic odor of cabbageThe headspace composition changed rapidly after the onion cutting-related cell disruption. Propanethial S-oxide (the lachrymatory factor) and breakdown products dominated 0-to-10 minutes after cutting an onion. Propanethiol, dipropyl disulfide, and trace amounts of thiosulfinates then appeared, and the concentrations reached a maximum 60 minutes after cutting. Propanethiol, present at the highest concentrations, has an odor activity value is 20 times higher than dipropyl disulfide, and is suggested to be the main source of the characteristic onion odor.프로필렌 글리콜 중 0.10%. 양배추 천연가스 단양파 |
| 맛 | BELOW 2-3 PPM SWEET ONION & CABBAGE-LIKE FLAVOR |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.841 at 68 °F (USCG, 1999) - Less dense than waterwill float0.843 g/cu cm at 20 °CRelative density (water = 1): 0.840.842-0.8470.8411 @ 20°C0.841 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | COLORLESS, MOBILE LIQUIDColorless liquid |
| 용해도 | Slight (NIOSH, 2024)Miscible in ethanol, ethervery soluble in acetoneSOL IN PROPYLENE GLYCOLSoluble in ethanol, ether, acetone, benzeneIn water, 1.90X10+3 mg/L at 25 °C1.9 mg/mL at 25 °C1.9g/L |
| 인화점 | 5 °F (USCG, 1999)-20 °C-5 °F-20.5 °C−5 °F |
| 끓는 점 | 153 °F at 760 mmHg (USCG, 1999)67.8 °C67.00 to 68.00 °C. @ 760.00 mm Hg68 °C67-68 °C67-68 °C(lit.) |
| 녹는점 | -113 °C |
| 증기 밀도 | 2.54 (vs air) |
| 증기압 | 122 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.437(lit.) |
| FEMA | 3521 | PROPANETHIOL |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:10.86 (25°C) |
| 색상 | 무색의 |
| 향취 유형 | 마늘 냄새 |
| 생물학적 소스 | synthetic |
| 후각 역치 | 0.000013ppm |
| 용해도 | 섞일 수 없음 |
| 비열 | Cp(liquid): 1.9 J/(g·K), at 25℃ |
| JECFA Number | 509 |
| BRN | 1696860 |
| 헨리 상수 | 1.7×10-3 mol/(m3Pa) at 25℃, Plyasunova et al. (2004) |
| InChI | 1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 |
| InChIKey | SUVIGLJNEAMWEG-UHFFFAOYSA-N |
| SMILES | CCCS |
| LogP(분배 계수) | 1.7 at 20℃ |
| NIST | 1-Propanethiol(107-03-9) |
| EPA | 1-Propanethiol (107-03-9) |
화학적 성질
clear colourless liquid
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1512 reports by companies from 16 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-PropanethiolRegulation (EC) No 1831/2003 (amended)1-Propanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol 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: 04-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/252321-Propanethiol: HSNO Approval: HSR001213 Approved with controlsThe 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 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:Special Hazards of Combustion Products: Toxic sulfur dioxide is generated. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive. |
| 화재 가능성 | Very dangerous fire hazard. |
| 건강 유해성 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:Inhalation causes muscular weakness, convulsions, and respiratory paralysishigh concentrations may cause pulmonary irritation. Contact with liquid causes irritation of eyes and skin. Ingestion causes irritation of mouth and stomach. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
용도
개요
Propane thiol is an organic compound with the molecular formula C3H8S. It belongs to the group of thiols. It is a colorless liquid with a strong, offensive odor. It is moderately toxic and is less dense than water and slightly soluble in water. It is used as a chemical intermediate and a herbicide . It is highly flammable and it gives off irritating or toxic fumes (or gases) in a fire. Heating it will cause rise in pressure with risk of bursting.
출처
Reported found in onion (Allium cepa L.), garlic, shallot, roasted onion, raw leek, heated leek, chive, cooked chicken, beef, beer, American potato chips and durian (Durio zibethinus).
용도
1-Propanethiol, is used widely in research areas. This compound has a wide range of applications including cell biology, materials science, nanoscience, self-assembled monolayers (SAMs), nanoelectronics, and contact printing. It is also used as a chemical intermediate.
일반 설명
A colorless liquid with a strong, offensive odor. Moderately toxic. Flash point below 0°F. Less dense than water and slightly soluble in water. Hence floats on water. Used as a chemical intermediate and a herbicide.
제조 및 합성 방법
제조 방법
By reacting propyl alcohol and H2S under particular conditions; from propyl alcohol or propyl disulfide and naphthalene; from n-propyl chloride and potassium hydrosulfide; also from n-propanol plus bromine plus red phosphorus in the presence of sodium sulfate.