9-Dodecenoic acid, methyl ester
基本情報
- CAS
39202-17-0- 標準SMILES
CC/C=C/CCCCCCCC(=O)OC- InChIKey
DUWQEMMRMJGHSA-SNAWJCMRSA-N- 分子式
- C13H24O2
- 平均分子量
- 212.33 g/mol
- 単同位体質量
- 212.17763
名称と識別子
- 優先名称
- 9-Dodecenoic acid, methyl ester
- IUPAC
- methyl (E)-dodec-9-enoate
名称と別名
9-Dodecenoic acid, methyl esterMETHYL DODEC-9-ENOATE39202-17-0EC 700-618-7DTXSID90884816RefChem:549359DTXCID001024237700-618-7methyl (E)-dodec-9-enoate(E)-9-Dodecenoic acid methyl ester9-Dodecenoic acid, methyl ester, (E)-methyl trans-dodec-9-enoate
名称をさらに表示
SCHEMBL816605Methyl (9E)-9-dodecenoate #DTXSID201363736METHYL-TRANS-9-DODECENOATE(E)-9-dodecenoic acid, methyl esterDB-299979Q6339272455030-26-7
データベース識別子
- CAS
39202-17-0- PubChem CID
- 5362755
- DTXSID
DTXSID201363736- EC Number
- 700-618-7
- Nikkaji
- J1.727.748K、J45.207F
物性
構造計算による物性
- XLogP
- 4.3
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 10
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 173
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Methyl dodec-9-enoate (EC: 700-618-7)
Methyl dodec-9-enoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
EPA Safer ChemicalChemical: 9-Dodecenoic acid, methyl ester
Hazard Classes and CategoriesAquatic Acute 1 (100%)
化学と産業
用途と製造
Household ProductsInformation on 1 consumer products that contain 9-Dodecenoic acid, methyl ester in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information9-Dodecenoic acid, methyl ester: ACTIVE
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