Methylundecanoat

Methyl undecanoate

HCID 15607CAS 1731-86-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCCCCCCCCCC(=O)OC
InChIKey
XPQPWPZFBULGKT-UHFFFAOYSA-N
Summenformel
C12H24O2
Durchschnittliche Molmasse
200,32 g/mol
Monoisotopische Masse
200,17763

Namen und Bezeichner

Bevorzugter Name
Methyl undecanoate
IUPAC
methyl undecanoate
Lokaler Name
Methylundecanoat
Englischer Name
METHYL UNDECANOATE
Summenformel
C12H24O2
Molmasse
200.32

Namen und Synonyme

METHYL UNDECANOATEUndecanoic acid, methyl esterMethyl n-undecanoateEINECS 217-053-2UNII-K67YZ97W6Cn-Undecanoic acid methyl esterBRN 1762129K67YZ97W6CMethyl ester of undecanoic acidDTXSID3061922CHEBI:875273-02-00-00858 (Beilstein Handbook Reference)
Weitere Namen anzeigen
MethylundecylateMethyl undecanateUNDECANOIC METHYLC11:0 METHYL ESTERmethyln-undecanoateRARECHEM AL BF 0156Methyl Undecanoate CRSC11:0 Undecanoic Methyl
RefChem:158053DTXCID1035523217-053-2XPQPWPZFBULGKT-UHFFFAOYSA-N1731-86-8Undecanoic acid methyl esterundecanoic acid-methyl esterMFCD00008957

Datenbank-Bezeichner

CAS
1731-86-8
PubChem CID
15607
DTXSID
DTXSID3061922
ChEBI
CHEBI:87527
UNII
K67YZ97W6C
EC Number
217-053-2
Nikkaji
J99.610F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,2
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
10
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 3 Einträge

1410；1407；1410；1411；1422；1407；1419；1420；1406；1406；1407；1414；1405；1405；1408；1410；1404.8；1409.8

1421.5；1422.5；1427；1429；1429；1432；1427；1427.8；1430

1694；1703；1710；1665；1695；1699；1732；1672；1686.7；1696.6；1701.8；1704.6；1705.7；1706.6；1711.6；1728.7；1710；1732

Physikochemische Eigenschaften

Schmelzpunkt
-10 °C · -10°C
Siedepunkt
247 · 247-249 °C
Dichte
0.872 g/mL · 0.872 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.429(lit.)
Flammpunkt
109 °C · 109°C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.

Danger

H318 (22.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 7 of 9 reports by companies.；There is 1 notification provided by 2 of 9 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Undecanoic acid, methyl ester

Undecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Undecanoic acid, methyl ester: Human health tier I assessment；Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesEye Dam. 1 (22.2%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Undecanoic acid, methyl ester

Undecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29159000
RTECS-Nr.
YQ2573000
risk_code
41
Toxizität
mouse,LDLo,intravenous,48mg/kg (48mg/kg),Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationUndecanoic acid, methyl ester: ACTIVE

Anwendungen

VerwendenMethyl undecanoate is used as plasticizer in polymers. It is used as fragrance agent in aroma and flavor Chemicals.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A fatty acid methyl ester of undecanoic acid.

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