Completing data — usually done within a minute
Basic information
- Standard SMILES
CCCCCC/C=C/C(=O)OC- InChIKey
ZWNPUELCBZVMDA-CMDGGOBGSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.252 g/mol
- Monoisotopic mass
- 170.13067982
Names & identifiers
- Preferred name
- Methyl (2E)-2-nonenoate
- IUPAC
- Methyl (2E)-non-2-enoate
- English name
- (2E)-2-Nonenoic acid methyl ester
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
methyl (E)-2-nonenoateZWNPUELCBZVMDA-CMDGGOBGSA-NMethyl trans-2-nonenoate(E)-2-Nonenoic acid methyl ester(2E)-2-Nonenoic acid methyl ester2-Nonenoic acid, methyl ester, (2E)-
Database identifiers
- CAS
111-79-5、14952-06-8、37822-76-7- PubChem CID
- 5368076
- DTXSID
DTXSID3047637- ChEMBL
CHEMBL3184812- ChEBI
CHEBI:180217- UNII
- J9XX5Y9211
- EC Number
- 203-908-7、253-677-1、811-711-8
- Nikkaji
- J126.502D、J82.396A
Properties
Physicochemical properties
- Boiling point
- 67 · 67-68 °C(Press: 3 Torr)
- Density
- 0.8998 g/cm3 · 0.8998 g/cm3
- vapor pressure
- 13.7 · 13.7-19Pa at 20-25℃
- refractive index
- 20 · n20/D 1.444 (lit.)
- Odor
- Green, fruity and melon-like
- biological source
- synthetic
- Major Application
- flavors and fragrances
- InChI
- 1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+
- InChIKey
- ZWNPUELCBZVMDA-CMDGGOBGSA-N
- SMILES
- [H]\C(CCCCCC)=C(\[H])C(=O)OC
- LogP
- 4.4 at · 4.4 at 35℃ and pH7
- FDA UNII
- 9 XX5Y9211 · J9XX5Y9211
- UNSPSC Code
- 12164502 · 12164502
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- WGK Germany
- 3 · WGK 3
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 2
- REACH Registrations
- Active
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H410
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 2
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
Usesflavors and fragrances
General DescriptionMethyl trans-2-nonenoate is one of the volatile compounds identified in mango wine.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Syntechem Co.,Ltd[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Additional notes
DefinitionChEBI: Methyl 2-nonenoate is a fatty acid ester.
Related reactions
1 records
Linked notes
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