Identifiers & Physical Properties
| CAS No. | 133-37-9 |
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| Molecular formula | C4H6O6 |
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| Average molar mass | 150.09 g/mol |
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| SMILES | O=C(O)[C@@H](O)[C@H](O)C(=O)O |
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| InChIKey | FEWJPZIEWOKRBE-LWMBPPNESA-N |
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| PubChem CID | 439655 |
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| ChEMBL | CHEMBL1200861 |
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| ChEBI | CHEBI:15672 |
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| EC No. | 205-105-7 |
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| DTXSID | DTXSID4043775 |
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Chemical & Physical Properties
| XLogP | -1.9 |
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| Topological polar surface area | 115 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 134 |
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| Chemical classes | Other Classes -> Organic Acids |
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| SpringerMaterials Properties | Crystal structure |
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| Fragrances | Fragrance Ingredient (Tartaric acid (d-, l-, dl-, meso-)) -> IFRA transparency List |
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| Solubility | 1.00E+06 mg/L @ 25 °C (exp) |
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| Melting point | 169 - 170 °C172.5 °C |
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| Physical Description | LiquidOther SolidWhite solid[ICSC] Colorless or white odorless solid[JECFA] White odorless crystalline powder[Acros Organics MSDS][Merck Index] White odorless crystalline powder[Alfa Aesar MSDS] |
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| Collision Cross Section | 119.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5046986]118.3 Ų [M-H]- |
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| Boiling point | 399.3±42.0 °C(Predicted) |
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| Density | 1.886±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 3.07±0.34(Predicted) |
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| GHS pictogram | GHS05 |
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| Signal word | Danger |
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| GHS hazard statements | H318 |
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| GHS precautionary statements | P280-P305+P351+P338+P310 |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 5.1% (26 of 506) of reports.DangerH315 (22.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 506 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 1% (3 of 310) of reports. |
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| Regulatory information | Chemical: Butanedioic acid, 2,3-dihydroxy-, (R*,R*)-(.+-.)-Chemical: Butanedioic acid, 2,3-dihydroxy-, [S-(R*,R*)]-Butanedioic acid, 2,3-dihydroxy-, (2S,3S)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanedioic acid, 2,3-dihydroxy-, (2S,3S)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 23-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17277Status: Active Update: 03-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34095D-Tartaric acid: Does not have an individual approval but may be used under an appropriate group standard |
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| Other safety information | IMAP assessments - Butanedioic acid, 2,3-dihydroxy-, (R*,R*)-(.+-.)-: Human health tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| Hazards summary | Causes burnsInhalation of aerosol may cause pulmonary edema[ICSC] An irritant[Acros Organics MSDS]A skin, respiratory tract, and strong eye irritant[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (22.1%)Skin Irrit. 2 (23.5%) |
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| Adverse effects | |
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