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ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate - 97%, high purity , CAS No.189509-22-6
Basic Description
Synonyms | A880447 | SY115315 | CS-0151612 | DTXSID20455119 | C73628 | MFCD22761954 | Ethyl2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate | ETHYL 2-{8-HYDROXY-1,4-DIOXASPIRO[4.5]DECAN-8-YL}ACETATE | EN300-704305 | C12H20O5 | Ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5 |
Specifications & Purity | ≥97% |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate |
INCHI | InChI=1S/C12H20O5/c1-2-15-10(13)9-11(14)3-5-12(6-4-11)16-7-8-17-12/h14H,2-9H2,1H3 |
InChi Key | WHKXSXPMLULVEK-UHFFFAOYSA-N |
Canonical SMILES | CCOC(=O)CC1(CCC2(CC1)OCCO2)O |
Isomeric SMILES | CCOC(=O)CC1(CCC2(CC1)OCCO2)O |
Alternate CAS | 189509-22-6 |
PubChem CID | 11096838 |
Molecular Weight | 244.28 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 244.280 g/mol |
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XLogP3 | 0.800 |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 4 |
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Exact Mass | 244.131 Da |
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Monoisotopic Mass | 244.131 Da |
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Topological Polar Surface Area | 65.000 Ų |
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Heavy Atom Count | 17 |
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Formal Charge | 0 |
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Complexity | 273.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H302:Harmful if swallowed |
Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P362:Take off contaminated clothing. P270:Do not eat, drink or smoke when using this product. P337+P313:IF eye irritation persists: Get medical advice/attention. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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