Grundinformationen
- Standard-SMILES
C=C(COC(C)=O)COC(C)=O- InChIKey
FKAKGSJLTBVQOP-UHFFFAOYSA-N- Summenformel
- C8H12O4
- Durchschnittliche Molmasse
- 172,18 g/mol
- Monoisotopische Masse
- 172,07355886
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylenepropane-1,3-diyl diacetate
- IUPAC
- 2-(acetyloxymethyl)prop-2-enyl acetate
- Lokaler Name
- 2-Methylenpropan-1,3-diyldiacetat
- Englischer Name
- 2-methylenepropane-1,3-diyl diacetate
- Summenformel
- C8H12O4
- Molmasse
- 172.18
Namen und Synonyme
2-Methylenepropane-1,3-diyl diacetate3775-29-9EINECS 223-225-8DTXSID301911971,3-Propanediol, 2-methylene-, 1,3-diacetateRefChem:476047DTXCID40113688223-225-82-(acetyloxymethyl)prop-2-enyl acetateMFCD007974622-[(ACETYLOXY)METHYL]PROP-2-EN-1-YL ACETATE2Z4VCG9QTK
Weitere Namen anzeigen
1,3-BIS (ACETOXYISOBUTENE)1,3-Diacetoxy-2-methylenepropaneacetic acid 2-(acetoxymethyl)allyl ester2-(acetyloxymethyl)prop-2-enyl ethanoate1,3-Propanediol, 2-Methylene-, diacetateDiacetic acid 2-methylenepropane-1,3-diyl esterDiacetic acid 2-methylene-1,3-propanediyl ester
2-(acetoxymethyl)allyl acetateSCHEMBL86123692-Methylene-1,3-diacetoxypropaneFKAKGSJLTBVQOP-UHFFFAOYSA-NCS-B07522-methylene-1,3-propanediol diacetateAKOS0244626242-methylene propan-1,3-diol diacetate
Datenbank-Bezeichner
- CAS
3775-29-9- PubChem CID
- 77404
- DTXSID
DTXSID30191197- UNII
- 2Z4VCG9QTK
- EC Number
- 223-225-8
- Nikkaji
- J217.674B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 175
Physikochemische Eigenschaften
- Siedepunkt
- 101 °C · 101 °C(Press: 12 Torr)
- Dichte
- 1.066 g/cm3 · 1.066 g/cm3(Temp: 22 °C)
- Dampfdruck
- 3 Pa · 3Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Wasserlöslichkeit
- 28.9 g/L · 28.9g/L at 20℃
- InChI
- InChI=1S/C8H12O4/c1-6(4-11-7(2)9)5-12-8(3)10/h1,4-5H2,2-3H3
- InChIKey
- FKAKGSJLTBVQOP-UHFFFAOYSA-N
- SMILES
- C(OC(=O)C)C(=C)COC(=O)C
- LogP
- 1.15 at · 1.15 at 25℃
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P319, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 2-methylenepropane-1,3-diyl diacetate (EC: 223-225-8)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
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