Hexansureanhydrid
Hexanoic anhydride
Grundinformationen
- CAS
2051-49-2- Standard-SMILES
CCCCCC(=O)OC(=O)CCCCC- InChIKey
PKHMTIRCAFTBDS-UHFFFAOYSA-N- Summenformel
- C12H22O3
- Durchschnittliche Molmasse
- 214,3 g/mol
- Monoisotopische Masse
- 214,15689456
Überblick
hexanoic anhydride has been reported in Nicotiana tabacum with data available.
Namen und Bezeichner
- Bevorzugter Name
- Hexanoic anhydride
- IUPAC
- hexanoyl hexanoate
- Lokaler Name
- Hexansureanhydrid
- Englischer Name
- HEXANOIC ANHYDRIDE
- Summenformel
- C12H22O3
- Molmasse
- 214.3
Namen und Synonyme
Hexanoic anhydride2051-49-2hexanoyl hexanoateCaproic anhydrideHexanoic acid, anhydrideHexanoic acid, 1,1'-anhydriden-Hexanoic anhydrideCaproic acid anhydrideCapronic acid anhydrideCapronic anhydrideHexanoyl anhydriden-Hexanoic acid anhydride
Weitere Namen anzeigen
hexanoylhexanoateN-HEXOIC ANHYDRIDEn-CapriocanhydrideN-CAPROIC ANHYDRIDEN-CAPRONIC ANHYDRIDE
GG70Y8LTBYEINECS 218-121-4AI3-06132DTXSID20870929EC 218-121-4RefChem:787419Hexanoic acid, 1,1'anhydrideDTXCID30818610
Datenbank-Bezeichner
- CAS
2051-49-2- PubChem CID
- 74918
- DTXSID
DTXSID20870929- UNII
- GG70Y8LTBY
- EC Number
- 218-121-4
- Nikkaji
- J95.911A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 167
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Acid Anhydrides, Other
Industrial compound
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionClear slightly yellow liquid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -40 °C · -40 °C
- Siedepunkt
- 246 · 246-248 °C (lit.)
- Dichte
- 0.928 g/mL · 0.928 g/mL at 20 °C (lit.)
- Dampfdruck
- 2.9 Pa · 2.9Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.428(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1 g/10 · ethanol: soluble1g/10 mL, clear, colorless
- Aggregatzustand
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (96.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 61 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Hexanoic acid, anhydride
Status: Active Update: 02-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23159
Hexanoic anhydride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Hexanoic acid, anhydride: Environment tier I assessment
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS] See Butyric anhydride.
Hazard Classes and CategoriesSkin Corr. 1B (96.7%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationHexanoic acid, 1,1'-anhydride: ACTIVE
Anwendungen
VerwendenHexanoic anhydride has been used in:green synthesis of esters of acyclovir (acyclovir prodrugs)preparation of hexanoyl-modified chitosan nanoparticles and chitosan-based polymeric surfactants via N-acylation of chitosans
Darstellung
synthetischeTo an ice-cooled flask containing 116 gm (1.0 mole) of n-caproic acid is added 21.0-23.10 gm (0.5-0.55 mole) of ketene at a rate of 0.45 mole/hr. The reaction mixture is fractionally distilled at atmospheric pressure to afford a forecut of acetone, acetic acid, and acetic anhydride. The oil bath is raised to 220°C over a 1-hr period, kept there for 3 hr to ensure complete removal of acetic acid, and then cooled. The distillation is continued under reduced pressure to afford 86-95 gm (80-87%), b.p. 109- 112°C (3 mm Hg) and b.p. 118-121°C (6 mm Hg).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…