HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 12683Erstellt: 27. Oktober 2026
2-Allyloxymethyl-2-ethylpropandiol
TMPME · 2-allyloxymethyl-2-ethylpropanediol · trimethylolpropaneallylether · TRIMETHYLOLPROPANE ALLY ETHER · HEXAGLYCERINE MONOALLYL ETHER · 1-(Allyloxy)butane-2,2-dimethanol · TriMethylolpropane Moloallyl ether · TriMethylolpropane allyl ether 98%
https://huagongshe.com/de/chemical/12683
Identifikatoren & physikalische Daten
| CAS No. | 682-11-1 |
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| Summenformel | C9H18O3 |
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| Durchschnittliche Molmasse | 174,24 g/mol |
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| Monoisotopische Masse | 174,12559444 g/mol |
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| SMILES | C=CCOCC(CC)(CO)CO |
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| InChIKey | LZDXRPVSAKWYDH-UHFFFAOYSA-N |
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| PubChem CID | 12683 |
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| EC No. | 211-662-7 |
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| DTXSID | DTXSID5052674 |
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| Lokaler Name | 2-Allyloxymethyl-2-ethylpropandiol |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 49,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 119 |
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| Physical Description | CBI |
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| Collision Cross Section | 141.3 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5052674] |
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| Schmelzpunkt | -10 °C |
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| Siedepunkt | 160 °C33 mm Hg(lit.) |
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| Dichte | 1.01 g/mL at 25 °C(lit.) |
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| Dampfdruck | 0.035Pa at 25℃ |
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| Brechungsindex | n20/D 1.467(lit.) |
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| Flammpunkt | >230 °F |
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| pKa (Säurekonstante) | 14.25±0.10(Predicted) |
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| Aggregatzustand | viscous liquid |
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| Wichte | 1.01 |
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| Löslichkeit | 10g/L at 20℃ |
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| InChI | InChI=1S/C9H18O3/c1-3-5-12-8-9(4-2,6-10)7-11/h3,10-11H,1,4-8H2,2H3 |
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| InChIKey | LZDXRPVSAKWYDH-UHFFFAOYSA-N |
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| SMILES | C(O)C(CC)(COCC=C)CO |
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| LogP (Verteilungskoeffizient) | 1.4 at 20℃ |
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| EPA chemische Informationen | 1,3-Propanediol, 2-ethyl-2-[(2-propenyloxy)methyl]- (682-11-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 21.7% (140 of 646) of reports.WarningH315 (78.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 646 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1,3-Propanediol, 2-ethyl-2-[(2-propenyloxy)methyl]-1,3-Propanediol, 2-ethyl-2-[(2-propen-1-yloxy)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-[(2-propen-1-yloxy)methyl]- 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)REACH registered substance: 2-allyloxymethyl-2-ethylpropanediol (EC: 211-662-7)1,3-Propanediol, 2-ethyl-2-(2-propenyloxy)methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Skin Irrit. 2 (78.3%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| TSCA-Inventar-Status | TSCA listed |
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| RTECS-Nr. | KM8800000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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