1-티오클리세롤
Thioglycerol
기본 정보
- CAS
96-27-5- 표준 SMILES
OCC(O)CS- InChIKey
PJUIMOJAAPLTRJ-UHFFFAOYSA-N- 분자식
- C3H8O2S
- 평균 분자량
- 108.16 g/mol
- 단동위원소 질량
- 108.0245005
개요
Monothioglycerol is a thiol that is glycerol in which one of the primary hydroxy groups is replaced by a thiol group. It has a role as a reducing agent and a vulnerary. It is a member of propane-1,2-diols and a thiol.
이름 및 식별자
- 우선 이름
- Thioglycerol
- IUPAC
- 3-sulfanylpropane-1,2-diol
- 현지명
- 1-티오클리세롤
- 영어명
- 3-Mercapto-1,2-propanediol
- 분자식
- C3H8O2S
- 분자량
- 108.16
이름 및 동의어
3-Mercapto-1,2-propanediol1-Thioglycerol96-27-5MonothioglycerolTHIOGLYCEROLThioglycerinThiovanolalpha-ThioglycerolThioglycerineGlycerol-1-thiol1-Mercaptoglycerol1-Monothioglycerol
이름 더 보기
1-티오글리세롤1-티오클리세롤3-메르캅토-1,2-프로판디올티오글리세린3-Mercaptopropane-1,2-diolA-MONOTHIOGLYCEROL
1,2-Propanediol, 3-mercapto-Monothioglycerin2,3-Dihydroxypropanethiol1-Mercapto-2,3-propanediolalpha-ThiolglycerolGlycerol, 1-thio-alpha-Monothioglycerol1-Thio-2,3-propanediol
데이터베이스 식별자
- CAS
96-27-5- PubChem CID
- 7291
- DTXSID
DTXSID5046512- ChEMBL
CHEMBL1398948- ChEBI
CHEBI:74537- UNII
- AAO1P0WSXJ
- EC Number
- 202-495-0
- Nikkaji
- J3.966G
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 41.5 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 32
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Sulfur Compounds (Alcohols)
CosmeticsHair waving or straightening; Depilatory; Keratolytic; Reducing
SpringerMaterials PropertiesOptical coefficient
OdorSLIGHT SULFIDIC
Density1.295
Color/Form
YELLOWISH, VERY VISCOUS LIQUID
COLORLESS OR PALE YELLOW
Solubility
SLIGHTLY SOL IN WATER; MISCIBLE WITH ALCOHOL; INSOL IN ETHER
VERY SOL IN ACETONE; SLIGHTLY SOL IN BENZENE
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Boiling Point118 °C @ 5 MM HG
DecompositionWHEN HEATED TO DECOMP, EMITS HIGHLY TOXIC FUMES OF /SULFUR OXIDES/
Refractive IndexINDEX OF REFRACTION BETWEEN 1.521 & 1.526; PH (1 IN 10 SOLN) BETWEEN 3.5 & 7
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (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.
유해성 정보
Regulatory Information
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/24546
Monothioglycerol: 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.
Fire PotentialFIRE HAZARD: MODERATE. ...CAN REACT WITH OXIDIZING MATERIALS.
Hazards SummaryAn irritant; Effects in high-dose animal studies include lacrimation and convulsions; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (93.9%)
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
화학 및 산업
용도 및 제조
Uses
Used as a preservative (pharmaceuticals), reducing agent , and polymer stabilizer; [HSDB] Used as a preservative (antioxidant), analytical reagent, and research chemical; [Merck Index]
IN WOUND HEALING; VET: TO PROMOTE WOUND HEALING (SOLN 1:5000)
PHARMACEUTIC AID (PRESERVATIVE)
REDUCING AGENT FOR CYSTINE MOLECULE IN HUMAN HAIR & WOOL; FOR STABILIZATION OF ACRYLONITRILE POLYMERS
U.S. Production2023: 51,570 lb
Consumer UsesStabilizing agent
Industry UsesPreservative
Methods of ManufacturingPREPD BY HEATING GLYCEROL-ALPHA-MONOCHLOROHYDRIN WITH KHS IN ALCOHOLIC SOLUTION. SUTTON, J AM MED ASSOC 104, 2168 (1935).
Use ClassificationCosmetics -> Hair waving or straightening; Depilatory; Keratolytic; Reducing
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
1,2-Propanediol, 3-mercapto-: ACTIVE
...MEAT FLAVORS WERE OBTAINED...BY REACTION...WITH HYDROGEN SULFIDE RELEASING AGENTS UNDER PRESSURE. ... HYDROGEN SULFIDE RELEASING AGENTS MENTIONED INCL... 3-MERCAPTO-1,2-PROPANEDIOL... PRACTICALLY ALL THESE COMPD ARE POWERFUL FLAVOR COMPD THEMSELVES.
응용 분야
개요1-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.
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51건
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