Valeriansureanhydrid

Valeric anhydride

HCID 74959CAS 2082-59-9

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Grundinformationen

Standard-SMILES: CCCCC(=O)OC(=O)CCCC
InChIKey: DUCKXCGALKOSJF-UHFFFAOYSA-N
Summenformel: C10H18O3
Durchschnittliche Molmasse: 186,25 g/mol
Monoisotopische Masse: 186,12559444

Namen und Bezeichner

Bevorzugter Name: Valeric anhydride
IUPAC: pentanoyl pentanoate
Lokaler Name: Valeriansureanhydrid
Englischer Name: VALERIC ANHYDRIDE
Summenformel: C10H18O3
Molmasse: 186.25

Namen und Synonyme

Valeric anhydride2082-59-9Pentanoic anhydridePentanoic acid, anhydridePentanoic acid, 1,1'-anhydrideN9B5ZQ67R5DTXSID70870934EINECS 218-212-9RefChem:901587DTXCID70818614218-212-9pentanoyl pentanoate

Weitere Namen anzeigen

eric AnhydridePenic anhydrideValeriansureanhydridVALERIC ANHYDRIDE 98%Valeric anhydride,98%

n-Valeric anhydrideVALERICANHYDRIDEMFCD00009477Pentanoic Acid 1,1'-Anhydriden-pentanoic anhydrideValeric anhydride; >95%valeric acid anhydridepentanoic acid anhydride

Datenbank-Bezeichner

CAS: 2082-59-9
PubChem CID: 74959
DTXSID: DTXSID70870934
UNII: N9B5ZQ67R5
EC Number: 218-212-9
Nikkaji: J7.319I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 13
Formalladung: 0
Komplexität: 146

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Schmelzpunkt: -56 °C · -56 °C (lit.)
Siedepunkt: 228 · 228-230 °C (lit.)
Dichte: 0.944 g/mL · 0.944 g/mL at 20 °C (lit.)
Dampfdruck: 5 Pa · 5Pa at 25℃
Brechungsindex: 20 · n20/D 1.421(lit.)
Flammpunkt: 214 °F · 214 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Wichte: 0.945 · 0.945-0.95 (20.00 °C)
Farbe: Clear colorless to yellow
Wasserlöslichkeit: 486.3 mg/L · 486.3 mg/L (25 °C,est)
BRN: 1770130 · 1770130
InChI: 1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3
InChIKey: DUCKXCGALKOSJF-UHFFFAOYSA-N
SMILES: CCCCC(=O)OC(=O)CCCC
LogP: 3.33 at · 3.33 at 25℃
CAS Datenbank: 2082 · 2082-59-9(CAS DataBase Reference)
EPA chemische Informationen: Pentanoic acid, anhydride (2082-59-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (27.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P333+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 147 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Pentanoic acid, anhydride

Status: Active Update: 20-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20891

Pentanoic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Pentanoic acid, anhydride: Human health tier I assessment

Hazard Classes and CategoriesSkin Corr. 1C (27.9%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 3
hs_code: 29159000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPentanoic acid, 1,1'-anhydride: ACTIVE

Anwendungen · 2 Einträge

BeschreibungValeric anhydride is an important organic synthetic raw material or intermediate component, often used in industrial or medical fields. It can be used in the preparation of butylphthalide, resin components, lutein esters, analgesics and organic glass.

VerwendenValeric Anhydride is used in the synthesis of non-imadazole histamine H3-antagonists. Also used in the preparation of millepachine derivatives as a new class of tubulin polymerization inhibitors.