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N-p-Benzeneacetonitrile menthanecarboxamide

HCID 44467796
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基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
1187627-98-0
標準SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(CC#N)cc1
InChIKey
FPJRGEOLQICYQZ-FHLIZLRMSA-N
分子式
C19H26N2O
平均分子量
298.4 g/mol
単同位体質量
298.20451346

名称と識別子

優先名称
N-p-Benzeneacetonitrile menthanecarboxamide
IUPAC
(1R,2S,5R)-N-[4-(cyanomethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

名称と別名

Evercool 1801187627-98-0FEMA no. 4496N-p-Benzeneacetonitrile menthanecarboxamideUNII-1G0T9SG12U1G0T9SG12UN-para-Benzene acetonitrile menthane carboxamideN-p-Benzeneacetonitrile menthanecarboxamide, (-)-N-p-Benzeneacetonitrile menthanecarboxamide, (1R,3R,4S)-EVERCOOL G-180Cyclohexanecarboxamide, N-(4-(cyanomethyl)phenyl)-5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-DTXSID90152229
名称をさらに表示
CYANOMETHYLPHENYL MENTHANE CARBOXAMIDEG-180N-(P-BENZENEACETONITRILE)MENTHANECARBOXAMIDERefChem:164077DTXCID4074720CYANOMETHYLPHENYL MENTHANE CARBOXAMIDE [INCI]852379-28-3N-p- Benzene Acetonitrile Menthane Carboxamide

データベース識別子

CAS
1187627-98-0、852379-28-3
PubChem CID
44467796
DTXSID
DTXSID90152229
UNII
1G0T9SG12U
EC Number
639-204-5
Nikkaji
J2.979.194E

物性

構造計算による物性補完中

XLogP
4.3
極性表面積
52.9 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
4
重原子数
22
形式電荷
0
複雑度
414

実験および物理化学的性質

Solubility · 2 件

Practically insoluble or insoluble in water

Very slightly soluble (in ethanol)

Physical DescriptionSolid white powder; Refreshing cool 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 · 5 件

Warning

H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (15.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 105 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: Cyclohexanecarboxamide, N-[4-(cyanomethyl)phenyl]-5-methyl-2-(1-methylethyl)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;b. the concentration of the chemical exceeds 0.015% in toothpaste, 0.005% in mouthwash, 0.018 mg/inch of floss in dental floss or 7.5% in lubricating strips on razors;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

化学と産業

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

サプライヤー

読み込み中…

公開中の見積依頼

読み込み中…

関連反応

4 件
反応記録を作成
HRID 407529 の反応式
HRID 407529生成物としてuspto-grants-2014_06
HRID 407531 の反応式
HRID 407531反応物としてuspto-grants-2014_06
HRID 1970193 の反応式
HRID 1970193生成物としてuspto-grants-2013_04
HRID 1970195 の反応式
HRID 1970195反応物としてuspto-grants-2013_04

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Hazard Classes and CategoriesSkin Irrit. 2 (15.2%);Eye Irrit. 2 (15.2%);STOT SE 3 (15.2%);Aquatic Chronic 2 (100%)

法規制情報

Regulatory Information · 2 件

Chemical: Cyclohexanecarboxamide, N-[4-(cyanomethyl)phenyl]-5-methyl-2-(1-methylethyl)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;b. the concentration of the chemical exceeds 0.015% in toothpaste, 0.005% in mouthwash, 0.018 mg/inch of floss in dental floss or 7.5% in lubricating strips on razors;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)