1-티오클리세롤

Thioglycerol

HCID 7291CAS 96-27-5
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기본 정보

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

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 · 2건

YELLOWISH, VERY VISCOUS LIQUID

COLORLESS OR PALE YELLOW

물리화학적 성질

녹는점
25 °C · <25 °C
끓는 점
118 °C5 · 118 °C5 mm Hg(lit.)
밀도
1.25 g/mL · 1.25 g/mL at 25 °C(lit.)
증기압
1 hPa · <1 hPa (20 °C)
굴절률
20 · n20/D 1.527(lit.)
인화점
230 °F · >230 °F

화학적 성질

clear colorless to yellowish viscous solution

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 4건

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
TY8140000
ridadr
UN 2810 6.1/PG 3
HS 번호
29309070
risk_code
21/22-36/37/38

화학 및 산업

용도 및 제조

Uses · 4건

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
응용 분야 · 3건

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.

용도3-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 설명1-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 방법

생산 방법Monothioglycerol is prepared by heating an ethanolic solution of 3- chloro-1,2-propanediol with potassium bisulfide.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

추가 설명

정의ChEBI: A thiol that is glycerol in which one of the primary hydroxy groups is replaced by a thiol group.

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