基本情報
- CAS
531-26-0- 標準SMILES
C=CCc1ccc(OC(=O)c2ccccc2)c(OC)c1- InChIKey
ZOGNBLKDKPCKGB-UHFFFAOYSA-N- 分子式
- C17H16O3
- 平均分子量
- 268.31 g/mol
- 単同位体質量
- 268.10994437
概要
Eugenyl benzoate is a carbonyl compound.
名称と識別子
- 優先名称
- Eugenyl benzoate
- IUPAC
- (2-methoxy-4-prop-2-enylphenyl) benzoate
- 現地名
- 2-メトキシ-4-(2-プロペニル)フェノールベンゾアート
- 英語名
- 4-allyl-2-methoxyphenyl benzoate
- 分子式
- C17H16O3
- 分子量
- 268.31
名称と別名
Eugenyl benzoateEugenol benzoate4-Allyl-2-methoxyphenyl benzoate531-26-0Benzoyl eugenolp-Eugenol, benzoateFEMA No. 2471PHENOL, 2-METHOXY-4-(2-PROPENYL)-, BENZOATEPhenol, 4-allyl-2-methoxy-, benzoatePhenol, 2-methoxy-4-(2-propen-1-yl)-, 1-benzoateYRO21E9Z352-Methoxy-4-(2-propenyl)phenyl benzoate
名称をさらに表示
ベンゾイルオイゲノール安息香酸2-メトキシ-4-(2-プロペニル)フェニル安息香酸オイゲニル2-メトキシ-4-(2-プロペニル)フェノールベンゾアートオイゲノールベンゾアートbenzoyleugenolBENZOIC ACID EUGENYLESTER(SG)2-Methoxy-4-(2-propenyl)phenol benzoate(2-methoxy-4-prop-2-enylphenyl) benzoate(2-methoxy-4-prop-2-enyl-phenyl) benzoatebenzoic acid (4-allyl-2-methoxy-phenyl) ester
EINECS 208-504-4NSC 408913NSC-408913AI3-23236EUGENYL BENZOATE [FHFI]DTXSID70862132Phenol, 4-allyl-2-methoxy-, benzoate (8CI)RefChem:596899
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 320
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point360.00 °C. @ 760.00 mm Hg
Melting Point69 - 70 °C
Physical Description
Solid
Colourless crystalline solid; Balsamic aroma with and undertone reminiscent of clove
物理化学的性質
- FEMA
- 2471 · 2471 | EUGENYL BENZOATE
- 溶解性
- Insoluble in water, soluble in hot alcohol and many oils, but poorly soluble in cold alcohol.
- 色
- White or almost white crystalline powder or colorless crystals.
- 臭い (Odor)
- 100 %で。マイルドなバルサムクローブ · 100.00%で。マイルドなバルサムクローブ
- においのタイプ
- 辛い
- JECFA Number
- 1533 · 1533
- LogP
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Phenol, 2-methoxy-4-(2-propenyl)-, benzoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2-methoxy-4-(2-propenyl)-, benzoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Sens. 1 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPhenol, 2-methoxy-4-(2-propen-1-yl)-, 1-benzoate: INACTIVE
応用分野
使用The very mild balsamic-spicy odour of great tenacity and warm underlines. The spicy notes are more pronounced in older material. Freshly prepared material may be almost odourless. This material finds little use in perfume compositions, but its poor volubility is a disadvantage. Of the related materials, it seems that Benzyl-iso-eugenol is the one which has caught the most attraction to perfumers. Eugenol benzoate finds some use in flavour compositions, e.g., various spice and fruit complexes. Its low evaporation rate makes it suitable for fixation in flavours for baked goods, etc.
サプライヤー11 社
成都彼样生物科技有限公司18108052721 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司
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