Methyl 9-decenoate

HCID 1778877CAS 25601-41-6

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Grundinformationen

Standard-SMILES: C=CCCCCCCCC(=O)OC
InChIKey: SBIGSHCJXYGFMX-UHFFFAOYSA-N
Summenformel: C11H20O2
Durchschnittliche Molmasse: 184,27 g/mol
Monoisotopische Masse: 184,14632988

Namen und Bezeichner

Bevorzugter Name: Methyl 9-decenoate
IUPAC: methyl dec-9-enoate
Englischer Name: 9-Decenoic acid, methyl ester
Summenformel: C11H20O2
Molmasse: 184.28

Namen und Synonyme

methyl 9-decenoate25601-41-69-Decenoic acid, methyl esterDTXSID30365139EC 662-772-0RefChem:157762DTXCID30316181SBIGSHCJXYGFMX-UHFFFAOYSA-Nmethyl dec-9-enoate9-Decenoic acid Methyl estermethyl-9-decenoateMFCD00778388

Weitere Namen anzeigen

Methyl dec-9-enoate,98% (stabilized with MEHQ)Methyl dec-9-enoate (Stabilized with MEHQ) - [M70344]

4K2M7ZTD5Tmethyl Sdecenoatemethyl 9-decen-1-oate9-Decenoic acid, methyl9-Decenoicacid,methylester9-DAMEUNII-4K2M7ZTD5TMLS001048893

Datenbank-Bezeichner

CAS: 25601-41-6
PubChem CID: 1778877
DTXSID: DTXSID30365139
ChEMBL: CHEMBL1364550
UNII: 4K2M7ZTD5T
EC Number: 662-772-0
Nikkaji: J498.751I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 9
Schwere Atome: 13
Formalladung: 0
Komplexität: 141

Experimentelle und physikochemische Eigenschaften

Physical DescriptionCBI

Physikochemische Eigenschaften

Siedepunkt: 123 °C · 123 °C(Press: 21 Torr)
Dichte: 0.883 · 0.883±0.06 g/cm3(Predicted)
Dampfdruck: 13.37 Pa · 13.37Pa at 25℃
storage temp.: 2 · 2-8°C, stored under nitrogen
InChI: InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3H,1,4-10H2,2H3
InChIKey: SBIGSHCJXYGFMX-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCCCCCCC=C
LogP: 4.6 at · 4.6 at pH7.8
Oberflächenspannung: 70.8 mN/m · 70.8mN/m at 7.8mg/L and 22℃
EPA chemische Informationen: 9 · 9-Decenoic acid, methyl ester (25601-41-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 48.7% (38 of 78) of reports.

Warning

H400 (48.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

9-Decenoic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Decenoic acid, methyl ester 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 29-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/6249

EPA Safer ChemicalChemical: 9-Methyl decenoate

Hazard Classes and CategoriesAquatic Acute 1 (48.7%)

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

Use Classification · 2 Einträge

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing Information9-Decenoic acid, methyl ester: ACTIVE

Anwendungen

Verwenden9-Decenoic acid, methyl ester is on the EPA's list of safer chemicals that have been verified as low concern and are commonly used as organic solvents.