Basic information
- CAS
1731-86-8- Standard SMILES
CCCCCCCCCCC(=O)OC- InChIKey
XPQPWPZFBULGKT-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- Methyl undecanoate
- IUPAC
- methyl undecanoate
- English name
- METHYL UNDECANOATE
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
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)
Show more names
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
Database identifiers
- CAS
1731-86-8- PubChem CID
- 15607
- DTXSID
DTXSID3061922- ChEBI
CHEBI:87527- UNII
- K67YZ97W6C
- EC Number
- 217-053-2
- Nikkaji
- J99.610F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
Kovats Retention Index
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
Physicochemical properties
- Melting point
- -10 °C · -10°C
- Boiling point
- 247 · 247-249 °C
- Density
- 0.872 g/mL · 0.872 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.429(lit.)
- Flash point
- 109 °C · 109°C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Clear colorless to pale yellow
- Odor
- 100 % · at 100.00 %. fatty waxy fruity
- Odor Type
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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%)
Regulatory information
Regulatory Information
Chemical: Undecanoic acid, methyl ester
Undecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationUndecanoic acid, methyl ester: ACTIVE
Applications
UsesMethyl undecanoate is used as plasticizer in polymers. It is used as fragrance agent in aroma and flavor Chemicals.
Upstream & downstream products
Downstream products
Suppliers100 total
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司
Related reactions
2 records
Compound notes
Loading…