1-티오클리세롤
1-티오글리세롤 · 1-티오클리세롤 · 3-메르캅토-1,2-프로판디올 · 티오글리세린 · MONOTHIOGLYCEROL · 1-THIOGLYCEROL · THIOGLYCEROL · ALPHA-THIOGLYCEROL
식별자 및 물리적 특성
| CAS No. | 96-27-5 |
|---|---|
| 분자식 | C3H8O2S |
| 평균 분자량 | 108.16 g/mol |
| 단동위원소 질량 | 108.0245005 g/mol |
| SMILES | OCC(O)CS |
| InChIKey | PJUIMOJAAPLTRJ-UHFFFAOYSA-N |
| PubChem CID | 7291 |
| ChEMBL | CHEMBL1398948 |
| ChEBI | CHEBI:74537 |
| EC No. | 202-495-0 |
| DTXSID | DTXSID5046512 |
| 현지명 | 1-티오클리세롤 |
화학 및 물리적 성질
| XLogP | -0.8 |
|---|---|
| 극성 표면적 | 41.5 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 32 |
| 물질 분류 | Other Classes -> Sulfur Compounds (Alcohols) |
| 화장품 | Hair waving or straighteningDepilatoryKeratolyticReducing |
| SpringerMaterials Properties | Optical coefficient |
| 냄새 | SLIGHT SULFIDIC악취 |
| 밀도 | 1.2951.25 g/mL at 25 °C(lit.) |
| Color/Form | YELLOWISH, VERY VISCOUS LIQUIDCOLORLESS OR PALE YELLOW |
| 용해도 | SLIGHTLY SOL IN WATERMISCIBLE WITH ALCOHOLINSOL IN ETHERVERY SOL IN ACETONESLIGHTLY SOL IN BENZENE무수 에탄올: 1·mL/mL |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| 끓는 점 | 118 °C @ 5 MM HG118 °C5 mm Hg(lit.) |
| Decomposition | WHEN HEATED TO DECOMP, EMITS HIGHLY TOXIC FUMES OF /SULFUR OXIDES/ |
| 굴절률 | INDEX OF REFRACTION BETWEEN 1.521 & 1.526PH (1 IN 10 SOLN) BETWEEN 3.5 & 7n20/D 1.527(lit.) |
| Physical Description | LiquidWater-white liquidSoluble in water[Hawley] Yellowish hygroscopic liquidSlightly soluble in water[Merck Index] Colorless viscous liquid with a stench[MSDSonline] |
| 녹는점 | <25 °C |
| 증기압 | <1 hPa (20 °C) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:9.43 (25°C,μ=0.5) |
| 색상 | 무색~황색으로 투명함 |
| pH | 3.5-7.0 |
| 생물학적 소스 | synthetic (organic) |
| 용해도 | 약간 용해됨 |
| Merck | 14,9335 |
| BRN | 1732046 |
| 안정성 | 공기에 민감한, 흡습성 |
| 화장품 원료 기능 | 제모제각질용해제헤어 웨이브 또는 스트레이트피부의 산화 스트레스를 줄이세요 |
| InChI | 1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2 |
| InChIKey | PJUIMOJAAPLTRJ-UHFFFAOYSA-N |
| SMILES | OCC(O)CS |
| LogP(분배 계수) | -0.84 at 20℃ |
| NIST | Monothioglycerol(96-27-5) |
| EPA | 1,2-Propanediol, 3-mercapto- (96-27-5) |
화학적 성질
clear colorless to yellowish viscous solution
안전 및 규제
| GHS 분류 | DangerH302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 362 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,2-Propanediol, 3-mercapto-1,2-Propanediol, 3-mercapto- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Propanediol, 3-mercapto- 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: 16-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24546Monothioglycerol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 화재 가능성 | FIRE HAZARD: MODERATE. ...CAN REACT WITH OXIDIZING MATERIALS. |
| 유해성 요약 | An irritantEffects in high-dose animal studies include lacrimation and convulsions[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (93.9%) |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TY8140000 |
| 운송 번호(UN) | UN 2810 6.1/PG 3 |
| 관세 코드 | 29309070 |
| 위험 문구(R) | 21/22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36-23 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralSkin Irrit. 2Skin Sens. 1B |
| 기존화학 물질 | KE-23101 |
| F 고인화성물질 | 3-9-10-13-23 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 유해 물질 데이터 | 96-27-5(Hazardous Substances Data) |
용도
개요
1-Thioglycerol is a reagent used in fluorescence, spectroscopy, and microbiology techniques. Varying the concentration of 1-thioglycerol in the preparation of CdSe/CdS core-shell ultrasmall quantum dots (CS-USQDs) allows a precise way to control the size of the shell, with shell size increasing with increased concentration. It is used as a capping agent in the synthesis of nanocrystals analyzed via Raman and UV/Vis spectroscopy. Biologically, 1-thioglycerol stimulates porphyrin synthesis and increases glutamyl-tRNA reductase activity in E. coli grown in an aerobic environment. It was previously a component in hair permanents used to produce waves or curls.
용도
3-Mercapto-1,2-propanediol has been used in a study to assess the manipulation of aqueous growth of CdTe nanocrystals. It has also been used in a study that investigated the effect of surface attachment on ligand binding
일반 설명
1-Thioglycerol stimulates the synthesis of porphyrin in aerobically growing Escherichia coli. It is an inhibitor of glycerol kinase activity in vitro and in situ.
제조 및 합성 방법
생산 방법
Monothioglycerol is prepared by heating an ethanolic solution of 3- chloro-1,2-propanediol with potassium bisulfide.