Basic information
- CAS
15909-83-8- Standard SMILES
O=S(=O)(O)CCCO- InChIKey
WQPMYSHJKXVTME-UHFFFAOYSA-N- Molecular formula
- C3H8O4S
- Average molar mass
- 140.16 g/mol
- Monoisotopic mass
- 140.01432991
Names & identifiers
- Preferred name
- 1-Propanesulfonic acid, 3-hydroxy-
- IUPAC
- 3-hydroxypropane-1-sulfonic acid
- English name
- 3-Hydroxypropanesulfonic acid
- Molecular formula
- C3H8O4S
- Molecular weight
- 140.16
Names & synonyms
15909-83-83-Hydroxypropanesulfonic Acid1-Propanesulfonic acid, 3-hydroxy-3-Hydroxypropanesulphonic acidEINECS 240-051-8DTXSID1065970RefChem:436185DTXCID5035119240-051-83-Hydroxypropane-1-sulfonic acid3-Hydroxy-1-propanesulfonic acidMFCD00066499
Show more names
HPSA3-hydroxypropan-sulfonsreHydroxypropanesulfonicacid3-hydroxypropan-sulfonsure3-HydroxypropanesulfonicAci3-Hydroxy-1-propansulfonsureHYDROXYPROPANE-1-SULFONIC ACID
3-Hydroxypropanesulfonic acid (contains varying amounts of 3,3'-Oxydipropanesulfonic acid) (ca. 80% in water, ca. 7.8mol/L)C3H8O4SNSC842283-HydroxypropanesulfonicAcid3-hydroxypropane-1-sulfonateSCHEMBL131499SCHEMBL131500SCHEMBL991196
Database identifiers
- CAS
15909-83-8- PubChem CID
- 85181
- DTXSID
DTXSID1065970- ChEMBL
CHEMBL1207163- UNII
- C667KS76K4
- EC Number
- 240-051-8
- Nikkaji
- J201.792J、J3.210.448G
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Density
- 1.364 g/mL · 1.364 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.456
- Flash point
- 100 °C · 100 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 1.69 · 1.69±0.50(Predicted)
- color
- Light yellow to Yellow to Orange
- BRN
- 1753832 · 1753832
- InChI
- 1S/C3H8O4S/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H,5,6,7)
- InChIKey
- WQPMYSHJKXVTME-UHFFFAOYSA-N
- SMILES
- OCCCS(O)(=O)=O
- FDA UNII
- 667 KS76K4 · C667KS76K4
- EPA Substance Registry System
- 1 · 1-Propanesulfonic acid, 3-hydroxy- (15909-83-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (26.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1-Propanesulfonic acid, 3-hydroxy-
Hazard Classes and CategoriesMet. Corr. 1 (26.4%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 1
- hs_code
- 2905.59.9000
- risk_code
- 45-21/22-35
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- T
- safety_code
- 53-26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanesulfonic acid, 3-hydroxy-: ACTIVE
Applications
Uses3-Hydroxypropanesulfonic Acid is used in preparation of Propane Sultone from Hydroxypropanesulfonic Acid.
General Descriptionmay contain up to ~40% (NMR) 3,3′-Oxydi(propanesulfonic acid)
Upstream & downstream products
Upstream raw materials
Suppliers100 total
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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
3 records
Compound notes
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