基本情報
- CAS
1123883-64-6- 標準SMILES
CCOC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C- InChIKey
GWRCTWAPTXBPHW-FRRDWIJNSA-N- 分子式
- C15H27NO3
- 平均分子量
- 269.38 g/mol
- 単同位体質量
- 269.19909372
概要
See other relationships...
名称と識別子
- 優先名称
- N-((Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide
- IUPAC
- ethyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate
名称と別名
FEMA No. 4309N-((ETHOXYCARBONYL)METHYL)-P-MENTHANE-3-CARBOXAMIDEN-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]glycine ethyl esterethyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetateWINSENSE WS-5Q6CA504696Ethyl 2-(((1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl)amino)acetateGlycine, N-(((1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl)carbonyl)-, ethyl esterMENTHANE CARBOXAMIDOETHYL ACETATEN-((Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide [FIFH]MENTHANE CARBOXAMIDOETHYL ACETATE (INCHI)Glycine, N-((5-methyl-2-(1-methylethyl)cyclohexyl)carbonyl)-, ethyl ester, (1R-(1alpha,2beta,5alpha))-
名称をさらに表示
N-((ETHOXYCARBONYL)METHYL)-P-MENTHANE-3-CARBOXAMIDE [FHFI]N-[(Ethoxycarbonyl)methyl)-p-menthane-3-carboxamideN-((ETHOXYCARBONYL)METHYL)-2-ISOPROPYL-5-METHYLCYCLOHEXANECARBOXAMIDEN-((ETHOXYCARBONYL)METHYL)-2-ISOPROPYL-5-METHYLCYCLOHEXANECARBOXAMIDE, (1R,2S,5R)-GLYCINE, N-((5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL)CARBONYL)-, ETHYL ESTER, (1R-(1.ALPHA.,2.BETA.,5.ALPHA.))-N-((Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide (FIFH)ethyl 2-(((1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino)acetateGlycine, N-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-, ethyl ester
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 55.4 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
- 6
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 315
実験および物理化学的性質
FragrancesFragrance Ingredient (N-[(Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility
Practically insoluble or insoluble in water; slightly soluble in heptane; very slightly soluble in propylene glycol and ethyl acetate
Soluble (in ethanol)
Boiling Point151 °C (2 mm Hg)
Physical DescriptionWhite crystals or powder; Cool menthol aroma
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
H319 (39.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 3 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: Glycine, N-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: ethyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate (EC: 695-735-2)
Hazard Classes and CategoriesEye Irrit. 2 (39.4%)
化学と産業
用途と製造
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
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