Basic information
- CAS
5416-55-7- Standard SMILES
OCC1(CO)CCCC(CO)(CO)C1O- InChIKey
ICVIFRMLTBUBGF-UHFFFAOYSA-N- Molecular formula
- C10H20O5
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.13107373
Names & identifiers
- Preferred name
- 2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
- IUPAC
- 2,2,6,6-tetrakis(hydroxymethyl)cyclohexan-1-ol
- English name
- 2 2 6 6-Tetrakis(hydroxymethyl)cyclohex&
- Molecular formula
- C10H20O5
- Molecular weight
- 220.26
Names & synonyms
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol5416-55-72,2,6,6-tetramethylolcyclohexanol2-Hydroxy-1,1,3,3-cyclohexanetetramethanolM97TUQ3YN31,1,3,3-Cyclohexanetetramethanol, 2-hydroxy-NSC 6836NSC-6836EINECS 226-511-0UNII-M97TUQ3YN3AI3-231951,1,3,3-Tetra(hydroxymethyl)cyclohexan-2-ol
Show more names
2,2,6,6-TetrahydroxyMethyl-cycloexanol2 2 6 6-Tetrakis(hydroxymethyl)cyclohex&1-(3-chloro-4-fluorophenyl)-3-(1-naphthalenyl)urea2,2,6,6-Tetrakis(hydroxymethyl )cyclohexanol, GC 97%1,1,3,3-Tetrakis(hydroxymethyl)-2-hydroxycyclohexane(2,2,6,6-Tetramethylol)cyclohexanol, 1,1,3,3-Tetra(hydroxymethyl)cyclohexan-2-ol, 2-Hydroxy-1,1,3,3-cyclohexanetetramethanol
DTXSID40202506RefChem:80904DTXCID001249972,2,6,6-tetrakis(hydroxymethyl)cyclohexan-1-olNSC6836(2-Hydroxycyclohexane-1,1,3,3-tetrayl)tetramethanolMLS0026379442,2,6,6-Tetrakis(hydroxymethyl )cyclohexanol
Database identifiers
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 123 · 123-127 °C
- Boiling point
- 441.6 · 441.6±10.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 14.37 · 14.37±0.60(Predicted)
- form
- solid
- InChI
- 1S/C10H20O5/c11-4-9(5-12)2-1-3-10(6-13,7-14)8(9)15/h8,11-15H,1-7H2
- InChIKey
- ICVIFRMLTBUBGF-UHFFFAOYSA-N
- SMILES
- OCC1(CO)CCCC(CO)(CO)C1O
- FDA UNII
- 97 TUQ3YN3 · M97TUQ3YN3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers12 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [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]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
围场满族蒙古族自治县元合生物技术研发有限公司0314-7886310 18830416512 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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