METHYL 2-KETO-L-GULONATE
METHYL 2-KETO-L-GULONATE structure
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Common Name | METHYL 2-KETO-L-GULONATE | ||
|---|---|---|---|---|
| CAS Number | 3031-98-9 | Molecular Weight | 208.166 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 495.4±45.0 °C at 760 mmHg | |
| Molecular Formula | C7H12O7 | Melting Point | 158-159 °C | |
| MSDS | N/A | Flash Point | 204.6±22.2 °C | |
Summary: Methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate (CAS: 3031-98-9), molecular formula C7H12O7, molecular weight 208.166, melting point 158-159 °C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 495.4±45.0 °C at 760 mmHg |
| Melting Point | 158-159 °C |
| Molecular Formula | C7H12O7 |
| Molecular Weight | 208.166 |
| Flash Point | 204.6±22.2 °C |
| Exact Mass | 208.058304 |
| PSA | 124.29000 |
| LogP | -2.06 |
| Vapour Pressure | 0.0±2.9 mmHg at 25°C |
| Index of Refraction | 1.535 |
| InChIKey | KPHIBLNUVRGOGU-LMVFSUKVSA-N |
| SMILES | COC(=O)C(=O)C(O)C(O)C(O)CO |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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METHYL 2-KETO-L... CAS#:3031-98-9 |
| Literature: ARCHER-DANIELS-MIDLAND COMPANY Patent: EP1206435 B1, 2004 ; Location in patent: Page column 8-9 ; |
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METHYL 2-KETO-L... CAS#:3031-98-9 |
| Literature: Drefahl; Gross Journal fuer Praktische Chemie (Leipzig), 1955 , vol. <4> 1, p. 153,154 |
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METHYL 2-KETO-L... CAS#:3031-98-9 |
| Literature: Rhone Poulenc Rorer S.A. Patent: US5391770 A1, 1995 ; |
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METHYL 2-KETO-L... CAS#:3031-98-9 |
| Literature: Reichstein; Gruessner Helvetica Chimica Acta, 1934 , vol. 17, p. 311,319 Full Text Show Details Sumiki; Mitsunaga Nippon Nogei Kagaku Kaishi, 1951 , vol. 25, p. 198 Chem.Abstr., 1953 , p. 10643 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl L-sorbosonate |
| Gulonic acid,2-keto-,methyl ester,L |
| Methyl L-xylo-hexulosonate |
| Methyl 2-keto-L-gulonate |
| 2-Oxo-L-gulonsaeure-methylester |
| L-Sorbosonic acid, methyl ester |
| Xylohexulosonic acid,methyl ester |
| 2-Keto-L-gulonic acid methyl ester |
| 2-Keto-l-gulonsaeuremethylester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: LogP of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate is -2.06. |
| Q: What is the polar surface area (PSA) of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: Polar surface area (PSA) of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate is 124.29000. |
| Q: What are the upstream materials of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: Related upstream materials(CAS) of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate: 526-98-7;67-56-1;50-81-7;186581-53-3. |
| Q: What English synonyms does methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate have? |
| A: English synonyms of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate: Methyl L-sorbosonate, Gulonic acid,2-keto-,methyl ester,L, Methyl L-xylo-hexulosonate, Methyl 2-keto-L-gulonate, 2-Oxo-L-gulonsaeure-methylester, L-Sorbosonic acid, methyl ester, Xylohexulosonic acid,methyl ester, 2-Keto-L-gulonic acid methyl ester, 2-Keto-l-gulonsaeuremethylester. |
| Q: What is the boiling point of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: Boiling point of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate is 495.4±45.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: SMILES notation of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate is COC(=O)C(=O)C(O)C(O)C(O)CO. |
| Q: What is the molecular formula of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: Molecular formula of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate is C7H12O7. |
| Q: What is the InChIKey of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: InChIKey of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate is KPHIBLNUVRGOGU-LMVFSUKVSA-N. |
| Q: What are the downstream products of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: Related downstream products(CAS) of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate: 50-81-7. |
| Q: What is the English name of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate? |
| A: The English name of methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate is methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate. |
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. |