2,5-Dimethyl-2,5-hexanediol structure
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Common Name | 2,5-Dimethyl-2,5-hexanediol | ||
|---|---|---|---|---|
| CAS Number | 110-03-2 | Molecular Weight | 146.227 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 215.1±8.0 °C at 760 mmHg | |
| Molecular Formula | C8H18O2 | Melting Point | 86-90 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 126.7±0.0 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,5-Dimethyl-2,5-hexanediol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 215.1±8.0 °C at 760 mmHg |
| Melting Point | 86-90 °C(lit.) |
| Molecular Formula | C8H18O2 |
| Molecular Weight | 146.227 |
| Flash Point | 126.7±0.0 °C |
| Exact Mass | 146.130676 |
| PSA | 40.46000 |
| LogP | 0.37 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.453 |
| InChIKey | ZWNMRZQYWRLGMM-UHFFFAOYSA-N |
| SMILES | CC(C)(O)CCC(C)(C)O |
| Water Solubility | SOLUBLE |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2905391000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2905399090 |
|---|---|
| Summary | 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Transformation of diols in the presence of heteropoly acids under homogeneous and heterogeneous conditions. Török B, et al.
J. Mol. Catal. A: Chem. 107(1) , 305-311, (1996)
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Nitriles in Nuclear Heterocyclic Synthesis. II. MEYERS AI and RITTER JJ.
J. Org. Chem. 23(12) , 1918-1922, (1958)
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Synthesis and Spectroscopic Characterization of the First Mixed Six-and Seven-Membered Heterocyclic Boron Compounds With Intramolecular N® B Bond. Goyal S, et al.
Main Group Met. Chem. 32(2) , 55-64, (2009)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,5-Dihydroxy-2,5-dimethylhexane |
| 2,5-DIMETHYLHEXANEDIOL |
| QX1&1&2XQ1&1 |
| 2,5-Dimethyl-2,5-hex |
| 1,1,4,4-Tetramethyl-1,4-butanediol |
| 2,5-dimethyl-5-hexanediol |
| EINECS 203-731-5 |
| 2,5-dimethylhexane-2,5-diol |
| 2,5-DIMETHYL-2,5-HEXANDIOL |
| dimethylhexanediol |
| MFCD00004473 |
| 2,5-dimethyl-2,5-dihydroxy hexane |
| 2,5-Dimethyl-hexan-2,5-diol |
| 2,5-Dimethyl-2,5-hexanediol |
| 2,5-DIMETHYLOHEXANEDIOL |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 2,5-Dimethyl-2,5-hexanediol? |
| A: Related downstream products(CAS) of 2,5-Dimethyl-2,5-hexanediol: 92050-16-3;94497-51-5;94497-53-7;22306-30-5;6683-46-1;22824-31-3;22825-04-3;22825-14-5;123-56-8;67-64-1. |
| Q: What is the safety information for 2,5-Dimethyl-2,5-hexanediol? |
| A: Safety information for 2,5-Dimethyl-2,5-hexanediol: S22-S24/25. |
| Q: What is the molecular formula of 2,5-Dimethyl-2,5-hexanediol? |
| A: Molecular formula of 2,5-Dimethyl-2,5-hexanediol is C8H18O2. |
| Q: What is the LogP of 2,5-Dimethyl-2,5-hexanediol? |
| A: LogP of 2,5-Dimethyl-2,5-hexanediol is 0.37. |
| Q: What is the polar surface area (PSA) of 2,5-Dimethyl-2,5-hexanediol? |
| A: Polar surface area (PSA) of 2,5-Dimethyl-2,5-hexanediol is 40.46000. |
| Q: What English synonyms does 2,5-Dimethyl-2,5-hexanediol have? |
| A: English synonyms of 2,5-Dimethyl-2,5-hexanediol: 2,5-Dihydroxy-2,5-dimethylhexane, 2,5-DIMETHYLHEXANEDIOL, QX1&1&2XQ1&1, 2,5-Dimethyl-2,5-hex, 1,1,4,4-Tetramethyl-1,4-butanediol, 2,5-dimethyl-5-hexanediol, EINECS 203-731-5, 2,5-dimethylhexane-2,5-diol, 2,5-DIMETHYL-2,5-HEXANDIOL, dimethylhexanediol, MFCD00004473, 2,5-dimethyl-2,5-dihydroxy hexane, 2,5-Dimethyl-hexan-2,5-diol, 2,5-Dimethyl-2,5-hexanediol, 2,5-DIMETHYLOHEXANEDIOL. |
| Q: What is the CAS number of 2,5-Dimethyl-2,5-hexanediol? |
| A: CAS number of 2,5-Dimethyl-2,5-hexanediol is 110-03-2. |
| Q: What is the molecular weight of 2,5-Dimethyl-2,5-hexanediol? |
| A: Molecular weight of 2,5-Dimethyl-2,5-hexanediol is 146.227. |
| Q: What is the SMILES notation of 2,5-Dimethyl-2,5-hexanediol? |
| A: SMILES notation of 2,5-Dimethyl-2,5-hexanediol is CC(C)(O)CCC(C)(C)O. |
| Q: What are the upstream materials of 2,5-Dimethyl-2,5-hexanediol? |
| A: Related upstream materials(CAS) of 2,5-Dimethyl-2,5-hexanediol: 142-30-3;6975-92-4;3404-78-2;75-65-0;107-82-4;764-13-6;3730-60-7;110-13-4;74-88-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |