基本情報
- CAS
179911-08-1- 標準SMILES
CCC(=O)N(CC)c1cccc(C)c1- InChIKey
DSYVYGLBPDTBKH-UHFFFAOYSA-N- 分子式
- C12H17NO
- 平均分子量
- 191.27 g/mol
- 単同位体質量
- 191.13101416
概要
See also: Agarbois (annotation moved to); N-ethyl-N-(3-methylphenyl) propionamide (annotation moved to).
名称と識別子
- 優先名称
- Propanamide, N-ethyl-N-(3-methylphenyl)-
- IUPAC
- N-ethyl-N-(3-methylphenyl)propanamide
- 英語名
- ALICATE
- 分子式
- C12H17NO
- 分子量
- 191.272
名称と別名
Propanamide, N-ethyl-N-(3-methylphenyl)-N-Ethyl-N-(3-methylphenyl)propionamideDTXSID80870147RefChem:868787DTXCID20817955423-640-6179911-08-1n-ethyl-n-(3-methylphenyl)propanamideSCHEMBL3871929SCHEMBL30074142AKOS006228894NS00010094
名称をさらに表示
ALICATE
データベース識別子
- CAS
179911-08-1- PubChem CID
- 44150680
- DTXSID
DTXSID80870147- EC Number
- 423-640-6
- Nikkaji
- J2.596.319I
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 20.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 191
実験および物理化学的性質
FragrancesFragrance Ingredient (N-Ethyl-N-(3-methylphenyl)propionamide) -> IFRA transparency List
物理化学的性質
- 沸点
- 273.85 · 273.85-274℃ at 101.01kPa
- 比重(密度)
- 0.992 at · 0.992 at 20℃
- 蒸気圧
- 0.1 Pa · 0.1Pa at 20℃
- 外見
- Liquid
- LogP
- 2.03 at · 2.03 at pH9.1
- 表面張力
- 54.5 mN/m · 54.5mN/m at 1.11g/L and 21℃
- EPAの化学物質情報
- Propanamide, N-ethyl-N-(3-methylphenyl)- (179911-08-1)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1325 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
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: N-ethyl-N-(3-methylphenyl)propionamide (EC: 423-640-6)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Household ProductsInformation on 1 consumer products that contain Propanamide, N-ethyl-N-(3-methylphenyl)- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationPropanamide, N-ethyl-N-(3-methylphenyl)-: ACTIVE
サプライヤー2 社
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
関連反応
2 件
化合物ノート
読み込み中…