基本情報
- 標準SMILES
O=C(O)C=Cc1ccccc1- InChIKey
WBYWAXJHAXSJNI-UHFFFAOYSA-N- 分子式
- C9H8O2
- 平均分子量
- 148.16 g/mol
- 単同位体質量
- 148.0524295
概要
(E/Z)-cinnamic acid has been reported in Camellia sinensis, Hoya crassipes, and other organisms with data available.
名称と識別子
- 優先名称
- 2-Propenoic acid, 3-phenyl-
- IUPAC
- 3-phenylprop-2-enoic acid
名称と別名
2-Propenoic acid, 3-phenyl-3-Phenyl-2-propenoic acidRefChem:89283BenzalaceticacidNSC 9189.beta.-Phenylacrylic acid3-Phenylacrylic acid; beta-Phenylacrylic acidCINNAMATE SODIUMcinnamoic acidcinnamoyl alcohol3-Phenyl-2-propenoic Acid; 3-Phenylacrylic Acid; NSC 623441; NSC 9189; Phenylacrylic Acid; ss-Phenylacrylic AcidZimtsaeure [German]
名称をさらに表示
(E/Z)-cinnamic acidStyrene Carboxylic AcidCinnamic acid (natural)Kyselina skoricove [Czech]SCHEMBL1333SCHEMBL410113orb1301623SCHEMBL1267986
データベース識別子
- CAS
621-82-9- PubChem CID
- 8784
- DTXSID
DTXSID40110056
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
LogP2.37
Solubility
insoluble in water; soluble in oils
slightly soluble (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point300 °C
Physical DescriptionWhite crystalline scales, honey floral odour
安全と法規制
危険有害性情報
Regulatory Information
Chemical: 2-Propenoic acid, 3-phenyl-
Cinnamic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cinnamic acid: Human health tier II assessment
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents that prevent BLOOD CLOTTING.
Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.
用途と製造
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Propenoic acid, 3-phenyl-: ACTIVE
関連反応
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関連ノート
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