基本情報
- CAS
7779-16-0- 標準SMILES
Nc1ccccc1C(=O)OC1CCCCC1- InChIKey
KFEZETDKFSMLMG-UHFFFAOYSA-N- 分子式
- C13H17NO2
- 平均分子量
- 219.28 g/mol
- 単同位体質量
- 219.12592879
概要
Cyclohexyl anthranilate is a viscous yellow liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Cyclohexyl anthranilate
- IUPAC
- cyclohexyl 2-aminobenzoate
- 現地名
- 2-アミノ安息香酸シクロヘキシル
- 英語名
- CYCLOHEXYL ANTHRANILATE
- 分子式
- C13H17NO2
- 分子量
- 219.28
名称と別名
CYCLOHEXYL ANTHRANILATECyclohexyl 2-aminobenzoateBenzoic acid, 2-amino-, cyclohexyl esterAnthranilic acid, cyclohexyl esterFEMA No. 2350EINECS 231-920-2CCRIS 6007UNII-LDE0728B6ALDE0728B6AAI3-03469DTXSID6024884CYCLOHEXYL ANTHRANILATE [FHFI]
名称をさらに表示
2-アミノ安息香酸シクロヘキシルアントラニル酸シクロヘキシルシクロヘキシル 2-アミノベンゾアートFEMA 23502-Aminobenzoicacidcyclohexylester2-amino-benzoicacicyclohexylester
RefChem:129672DTXCID004884231-920-2KFEZETDKFSMLMG-UHFFFAOYSA-N7779-16-0MFCD00036492Cyclohexyl 2-aminobenzoate #SCHEMBL1532423
データベース識別子
- CAS
7779-16-0- PubChem CID
- 24510
- DTXSID
DTXSID6024884- ChEBI
CHEBI:179207- UNII
- LDE0728B6A
- EC Number
- 231-920-2
- Nikkaji
- J326.561G
物性
構造計算による物性
- XLogP
- 3.7
- 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
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 236
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.117 at 66 °F (NTP, 1992) - Denser than water; will sink
1.015-1.021
Flavoring AgentsEU Flavoring substances
Solubility
less than 1 mg/mL at 73 °F (NTP, 1992)
Insoluble in water
Soluble (in ethanol)
Flash Pointgreater than 220 °F (NTP, 1992)
Boiling Point318 °C
Refractive Index1.571-1.577
Physical Description
Cyclohexyl anthranilate is a viscous yellow liquid. (NTP, 1992)
Pale yellow liquid; Faint, fruity, orangeblossom-like aroma
物理化学的性質
- 沸点
- 134 °C · 134 °C
- 比重(密度)
- 1 · 1,11 g/cm3
- FEMA
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
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzoic acid, 2-amino-, cyclohexyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Benzoic acid, 2-amino-, cyclohexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzoic acid, 2-amino-, cyclohexyl ester: Human health tier I assessment
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
An aromatic amine and ester. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. 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.
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 InformationBenzoic acid, 2-amino-, cyclohexyl ester: ACTIVE
応用分野
一般的な説明Viscous yellow liquid.
調製方法
製造方法From isatoic anhydride and cyclohexanol.
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