基本情報
- CAS
7493-63-2- 標準SMILES
C=CCOC(=O)c1ccccc1N- InChIKey
UCANFCXAKYMFGA-UHFFFAOYSA-N- 分子式
- C10H11NO2
- 平均分子量
- 177.2 g/mol
- 単同位体質量
- 177.07897859
概要
Allyl anthranilate is a clear golden liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Allyl anthranilate
- IUPAC
- prop-2-enyl 2-aminobenzoate
- 現地名
- 2-アミノ安息香酸2-プロペニル
- 英語名
- ALLYL ANTHRANILATE
- 分子式
- C10H11NO2
- 分子量
- 177.2
名称と別名
ALLYL ANTHRANILATE7493-63-2Allyl 2-aminobenzoate2-Propenyl 2-aminobenzoateAnthranilic acid, allyl esterAllyl O-aminobenzoate2-Propen-1-yl anthranilateVinyl carbinyl anthranilateBenzoic acid, 2-amino-, 2-propenyl esterFEMA No. 20202-Propen-1-yl 2-aminobenzoateprop-2-en-1-yl 2-aminobenzoate
名称をさらに表示
アントラニル酸アリル2-アミノ安息香酸アリルアントラニル酸2-プロペニル2-アミノ安息香酸2-プロペニルプロパ-2-エン-1-イル 2-アミノベンゾアートFEMA 2020prop-2-enyl 2-aminobenzoateAllyl AnthraniliateALLYL ANTHRANILATE 98+%Anthanilic acid allyl esterAllyl Anthraniliate USP/EP/BP2-Aminobenzoic acid allyl ester
CCRIS 6207DTXSID3024441EINECS 231-331-0NSC 147476AI3-36005UNII-81T0041N82NSC-147476DTXCID804441
データベース識別子
- CAS
7493-63-2
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 52.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 191
実験および物理化学的性質
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.12
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble (<1mg/ml) (NTP, 1992)
Almost insoluble in water, soluble in essential oils, poorly soluble in propylene glycol
(in ethanol)
Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point
105.00 °C. @ 2.00 mm Hg
105 °C (2mm Hg)
Refractive Index1.569-1.577
Physical Description
Allyl anthranilate is a clear golden liquid. (NTP, 1992)
Colourless to pale yellow liquid with a sharp heavy grape-like sweet odour and a green topnote
物理化学的性質
- 融点
- 224 · 224-228 °C(lit.)
- 沸点
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzoic acid, 2-amino-, 2-propenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzoic acid, 2-amino-, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Toxic; fire hazard. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
The unsaturated aliphatic hydrocarbons are generally much more reactive than the alkanes, which are saturated aliphatic hydrocarbons. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water Reactions
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
応用分野
使用Allyl Anthranilate is a synthetic flavoring agent that is a light yel- low colored liquid of green leaf-wine odor. it is stable but may cause discoloration. it should be stored in glass or tin containers. it is used as flavoring for its wine note and has application in beverages and candy at 1–2 ppm.
一般的な説明Clear golden liquid.
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