Basic information
- CAS
58625-96-0- Standard SMILES
CCC=C(C)C(=O)OCC- InChIKey
HYQYCHQAUPHFKX-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2-Methyl-pentenoic acid ethyl ester
- IUPAC
- ethyl 2-methylpent-2-enoate
- English name
- Methyl 2-pentenoate
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
SCHEMBL134789SCHEMBL28467655HYQYCHQAUPHFKX-UHFFFAOYSA-N2-methyl-pentenoic acid ethyl esterAKOS017437623DB-016767NS00033980Einecs 261-367-2RARECHEM AL BI 0127Methyl 2-pentenoateAMETHYL 2-PENTENOATEMETHYL PENT-2-ENOATE
Show more names
2-methyl-2-heptenoateEthyl strawberry acidMETHYL TRANS-2-PENTENOATEETHYL 2-METHYL-2-PENTENOATEEthyl 2-methylpent-2-enoate
Database identifiers
- CAS
58625-96-0- PubChem CID
- 74174
- DTXSID
DTXSID6074962
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 81 °C · 81 °C
- Density
- 0.902 · 0.902±0.06 g/cm3(Predicted)
- solubility
- Almost insoluble in water, soluble in alcohol and oils
- color
- Colorless mobile liquid
- Odor
- 100 % · at 100.00 %. sweet jammy berry rum
- Odor Type
- jammy
- LogP
- 2.931 · 2.931 (est)
- CAS DataBase Reference
- 58625 · 58625-96-0
- EPA Substance Registry System
- 2 · 2-Pentenoic acid, 2-methyl-, ethyl ester (58625-96-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H317-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesEthyl 2-methyl-2-pentenoate is manufactured by a number of creative flavor or perfume houses for “’captive” use in fragrances and - mostly - in flavor compositions. The alcohol, corresponding to the parent acid is Methylpentenol, which is relatively well known in perfumery as a ‘“green” odorant. The title ester is not mentioned in the United States Federal Register or listed by F. E.M.A. as G. R.A.S. wherefore it should be considered as banned from use in food flavors in the U.S.A.
Suppliers45 total
湖北成丰化工有限公司13125175253 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
吉良化学21-62165282 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
贵州瑞曦新材料科技有限公司18786651865 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
BOC Sciences[email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
佛山晟熠生物科技有限公司18064670521 · [email protected]
成都康巴斯生物科技有限公司18582381569 · [email protected]
盼得（上海）国际贸易有限公司80159919 18662931292 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
衢州市瑞尔丰化工有限公司0570-3062289 13819008176 15068926975 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海阔坤生物科技有限公司15900929397 · [email protected]
衢州市瑞尔丰化工有限公司0570-3066667
湖北麦凯斯精化科技有限责任公司13026126800 13026126800;13027176014 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
湖北成丰化工有限公司15827338311 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
江苏博思特化工科技有限公司87161895 15651337098 · [email protected]
武汉拉那白医药化工有限公司027-81819291; 15307151931 · [email protected]
康迪斯化工（湖北）有限公司18064039730 · [email protected]
武汉裕清嘉衡药业有限公司027-83855312 17771813295 13377865312 · [email protected]
武汉普洛夫生物科技有限公司00-18372743325 18372743325 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Additional notes
DefinitionChEBI: Ethyl trans-2-methyl-2-pentenoate is a fatty acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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