Basic information
- CAS
20073-13-6- Standard SMILES
CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)OC- InChIKey
GEWDNTWNSAZUDX-XXJOZFEBSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Overview
See also: (-)-Methyl jasmonate (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Methyl dl-jasmonate
- IUPAC
- methyl 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
- English name
- (±)-Jasmonic acid methyl ester-d6
- Molecular formula
- C13H20O3
- Molecular weight
- 224.3
Names & synonyms
Methyl dl-jasmonate20073-13-6METHYL 2-[(1S,2S)-3-OXO-2-[(2Z)-PENT-2-EN-1-YL]CYCLOPENTYL]ACETATEMethyl 2-(trans-3-oxo-2-((Z)-pent-2-en-1-yl)cyclopentyl)acetate(+)-(Z)-Methyl epijasmonateSCHEMBL36184(+)-(Z)-methylepijasmonateDTXSID501343890(±)-Jasmonic acid methyl ester-d6D6-(±)-Jasmonic acid methyl esterD6-(±)-Jasmonic acid methyl ester (99.2 ATOM% D)
Database identifiers
- CAS
20073-13-6、78609-06-0- PubChem CID
- 6428089
- DTXSID
DTXSID501343890- EC Number
- 243-497-1
- Nikkaji
- J276.352D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Methyl [1α,2β(Z)]-(±)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate (EC: 243-497-1)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-rel-: INACTIVE
Suppliers3 total
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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