Basic information
- Standard SMILES
CCO[Si](CCCS)(OCC)OCC- InChIKey
DCQBZYNUSLHVJC-UHFFFAOYSA-N- Molecular formula
- C9H22O3SSi
- Average molar mass
- 238.42 g/mol
- Monoisotopic mass
- 238.10589209
Names & identifiers
- Preferred name
- 1-Propanethiol, 3-(triethoxysilyl)-
- IUPAC
- 3-triethoxysilylpropane-1-thiol
- English name
- 3-Mercaptopropyltriethoxysilane
- Molecular formula
- C9H22O3SSi
- Molecular weight
- 238.42
Names & synonyms
14814-09-6(3-Mercaptopropyl)triethoxysilane1-Propanethiol, 3-(triethoxysilyl)-3-(triethoxysilyl)propane-1-thiol3-(Triethoxysilyl)propanethiolTriethoxy(3-mercaptopropyl)silane(gamma-Mercaptopropyl)triethoxysilaneDTXSID70444793-(Triethoxysilyl)propyl mercaptanEINECS 238-883-1Silane, (3-mercaptopropyl)triethoxy-BRN 2039575
Show more names
kh590Mercaptosilane OligomerDK547A-1891DKSI182Dynasylan 3201Co-Formula CFS-0963-MercaptopropyltrieSilane coupling agent KH-5803-(triethoxysilyl)-propanethio
Z069RX894NPropanethiol, 3-(triethoxysilyl)-DTXCID5024479EC 238-883-1RefChem:4361973(Triethoxysilyl)propanethiolPropanethiol, 3(triethoxysilyl)Triethoxy(3mercaptopropyl)silane
Database identifiers
- CAS
14814-09-6- PubChem CID
- 84658
- DTXSID
DTXSID7044479- ChEMBL
CHEMBL3188191- UNII
- Z069RX894N
- EC Number
- 238-883-1
- Nikkaji
- J227.201F
Properties
Computed structural properties
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
Physical Description
Liquid
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 210 °C · 210 °C
- Density
- 0.987 g/mL · 0.987 g/mL at 20 °C (lit.)
- vapor pressure
- 0 · 0-7910Pa at 25℃
- refractive index
- 1.4331 · 1.4331
- Flash point
- 88 °C · 88°C
- storage temp.
- 2 · 2-8°C
- pka
- 10.39 · 10.39±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.932 · 0.932
- Viscosity
- 1.8 mm2/s · 1.8mm2/s
- Water Solubility
- Hydrolyzes slowly in water.
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- Sensitive
- Moisture Sensitive
- BRN
- 2039575 · 2039575
- InChI
- 1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3
- InChIKey
- DCQBZYNUSLHVJC-UHFFFAOYSA-N
- SMILES
- CCO[Si](CCCS)(OCC)OCC
- LogP
- -1.4 · -1.4-2.7 at 20℃
- CAS DataBase Reference
- 14814 · 14814-09-6(CAS DataBase Reference)
- FDA UNII
- 69 RX894N · Z069RX894N
- EPA Substance Registry System
- 1 · 1-Propanethiol, 3-(triethoxysilyl)- (14814-09-6)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411
- Precautionary statements
- 273 · P273-P391-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 3 · 3
- RTECS
- 7760000 · TZ7760000
- F
- 10 · 10-13
- TSCA
- TSCA listed
- PackingGroup
- III
- HS Code
- 29309090 · 29309090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 · Aquatic Chronic 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 20.6% (52 of 253) of reports.
Warning
H315 (23.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 253 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanethiol, 3-(triethoxysilyl)-
1-Propanethiol, 3-(triethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol, 3-(triethoxysilyl)- 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: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5391
1-Propanethiol, 3-(triethoxysilyl)-: 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.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryIntraperitoneal LD50 (mouse) = 3,000 mg/kg; [RTECS] Slowly hydrolyzed by water; A skin and strong eye irritant; [Alfa Aesar MSDS] See (3-Mercaptopropyl)trimethoxysilane.
Hazard Classes and CategoriesSkin Irrit. 2 (23.7%)
Safety data
- F
- 10-13
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TZ7760000
- ridadr
- UN 3334
- hs_code
- 29309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H411
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 2
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate, in polymer and tire manufacture, and as a laboratory reagent; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 100,000 - <250,000 lb
Industry UsesMonomers
General Manufacturing Information
Rubber Product Manufacturing
1-Propanethiol, 3-(triethoxysilyl)-: ACTIVE
Applications
UsesIt can improve the properties of the mineral-filled elastomer, including modulus, tensile and tear strength, heat buildup, abrasion resistance, resilience. It can be used as a pretreatment on minerals or added at the time of compounding. Mineral-reinforced rubbers such as shoe soles, rollers, wheels, white sidewalls, wire and cable insulation are the common case (3-Mercaptopropyl)triethoxysilane, could be used in. It also finds it uses as an intermediate, in polymer and tire manufacture, and as a laboratory reagent.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [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]
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河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
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北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江西宏柏新材料股份有限公司13986673315 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东万达有机硅新材料有限公司021-54177116
上海比阳实业有限公司+86-15021878111 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
恒桥产业股份有限公司025-84712192 · [email protected]
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玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
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上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
34 records
Linked notes
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