Basic information
- CAS
42891-16-7- Standard SMILES
CCCCCCCCS[C@@H]1OC(CO)[C@H](O)[C@@H](O)C1O- InChIKey
CGVLVOOFCGWBCS-XGVQBZMBSA-N- Molecular formula
- C14H28O5S
- Average molar mass
- 308.44 g/mol
- Monoisotopic mass
- 308.16574516
Names & identifiers
- Preferred name
- CID 24802438
- IUPAC
- (3R,4R,6S)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
- English name
- n-Octyl-beta-D-thiogalactopyranoside
- Molecular formula
- C14H28O5S
- Molecular weight
- 308.44
Names & synonyms
42891-16-7N-OCTYL-BETA-D-THIOGALACTOPYRANOSIDEC14H28O5SAKOS030212802(3R,4R,6S)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol(3R,4R,6S)-2-(hydroxymethyl)-6-octylsulfanyl-tetrahydropyran-3,4,5-triolOctylthiogalactosideN-OCTYL-1-THIO-BETA-D-GALβ-thiooctyl D-galactosideOctyl- β- D-ThiopyranosideOCTYL-BETA-D-THIOGALACTOSIDEOctyl β-D-thiogalactopyranoside
Show more names
octyl B-D-thiogalactopyranosideOctyl- β-D-thiogalactopyranosiden-Octyl-β-D-thio-galactopyranosidN-OCTYL-β-D-THIOGALACTOPYRANOSIDE
Database identifiers
- CAS
42891-16-7- PubChem CID
- 24802438
- EC Number
- 805-254-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 489.7 · 489.7±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 13.02 · 13.02±0.70(Predicted)
- HS Code
- 2940000080 · 2940000080
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
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2940000080
Chemistry & industry
Applications
UsesOctylthiogalactoside is a non ionic detergent used for solubilizing proteins.
Upstream & downstream products
Upstream raw materials
Suppliers20 total
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
湖南汇百益新材料有限公司400-0909710 13319523173 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
Aladdin Scientific
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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