Cyclohexanone sodium bisulfite
Also known as Cyclohexanesulfonic acid, 1-hydroxy-, monosodium salt, Cyclohexanone-sodium bisulfite compound, Sodium hydroxycyclohexanesulphonate
Key facts
What buyers check first
- CAS number
- 13489-81-1
- Formula
- C6H11NaO4S
- Molar mass
- 202.21 g/mol
- EC number
- 236-804-5
- HS code
- 290619
- Category
- Sulfur and phosphorus compounds
What is Cyclohexanone sodium bisulfite?
Plain description, key identifiers and synonyms
Cyclohexanone sodium bisulfite is a chemical substance with the molecular formula C6H11NaO4S and a molar mass of 202.21 g/mol. Its CAS registry number is 13489-81-1. The IUPAC name is sodium 1-hydroxycyclohexane-1-sulfonate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- sodium 1-hydroxycyclohexane-1-sulfonate
- CAS number
- 13489-81-1 CAS number cross-checked
- EC number
- 236-804-5
- Molecular formula
- C6H11NaO4S
- UNII
- GI6RQO5TGN
- InChIKey
- JRZIYJSQQILHNO-UHFFFAOYSA-M
- InChI
- InChI=1S/C6H12O4S.Na/c7-6(11(8,9)10)4-2-1-3-5-6;/h7H,1-5H2,(H,8,9,10);/q;+1/p-1
- SMILES (canonical and isomeric)
- C1CCC(CC1)(O)S(=O)(=O)[O-].[Na+]
Synonyms
- Cyclohexanesulfonic acid, 1-hydroxy-, monosodium salt
- Cyclohexanone-sodium bisulfite compound
- Sodium hydroxycyclohexanesulphonate
- sodium 1-hydroxycyclohexane-1-sulfonate
- sodium, 1-hydroxycyclohexane-1-sulfonate
- Cyclohexanesulfonic acid, 1-hydroxy-, sodium salt (1:1)
- 1-Hydroxy-cyclohexanesulfonicacid sodium salt (1:1)
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 202.21 g/molcalc.Computed value |
|---|---|
| Exact mass | 202.0276 Dacalc.Computed value |
| LogP (octanol/water) | -2.81calc.Computed value |
| Topological polar surface area | 77.43 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (16)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidCyclohexanone sodium bisulfite suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Cyclohexanone sodium bisulfite can send you quotes. Your contact details stay private until you accept a quote.
Cyclohexanone sodium bisulfite price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
Regulatory status
Inventories, regulations and trade controls that list this substance
United States
- TSCA inventory (USA)Status: Inactive in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Cyclohexanone sodium bisulfite is traded under.
Cyclanic, cyclenic or cycloterpenic, other
- United States19.8%
- Germany9.0%
- India * partner reported8.4%
* Partner reported figures, a lower bound.
The HS code shown for Cyclohexanone sodium bisulfite is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Cyclohexanone sodium bisulfite, based on the data on this page
What is Cyclohexanone sodium bisulfite?
What is the CAS number of Cyclohexanone sodium bisulfite?
What is the molecular formula and weight of Cyclohexanone sodium bisulfite?
Is Cyclohexanone sodium bisulfite hazardous?
What is the HS code of Cyclohexanone sodium bisulfite?
Where can I buy Cyclohexanone sodium bisulfite?
What is the price of Cyclohexanone sodium bisulfite?
Guides for buyers
Practical guides that help when you source, ship or handle Cyclohexanone sodium bisulfite
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
Get quotes for Cyclohexanone sodium bisulfite
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Cyclohexanone sodium bisulfite with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/cyclohexanone-sodium-bisulfite-13489-81-1" title="Cyclohexanone sodium bisulfite structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Sulfur and phosphorus compounds or HS code 290619