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N-p-Benzeneacetonitrile menthanecarboxamide

HCID 44467796
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1187627-98-0
표준 SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(CC#N)cc1
InChIKey
FPJRGEOLQICYQZ-FHLIZLRMSA-N
분자식
C19H26N2O
평균 분자량
298.4 g/mol
단동위원소 질량
298.20451346

이름 및 식별자

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

이름 및 동의어

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
이름 더 보기
CYANOMETHYLPHENYL MENTHANE CARBOXAMIDEG-180N-(P-BENZENEACETONITRILE)MENTHANECARBOXAMIDERefChem:164077DTXCID4074720CYANOMETHYLPHENYL MENTHANE CARBOXAMIDE [INCI]852379-28-3N-p- Benzene Acetonitrile Menthane Carboxamide

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
4.3
극성 표면적
52.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
22
형식 전하
0
복잡도
414

실험 및 물리화학적 성질

Solubility · 2건

Practically insoluble or insoluble in water

Very slightly soluble (in ethanol)

Physical DescriptionSolid white powder; Refreshing cool aroma

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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)

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

규제 정보

Regulatory Information · 2건

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)

화학 및 산업

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

관련 반응

4건
반응 기록 만들기
HRID 407529 반응식
HRID 407529생성물로uspto-grants-2014_06
HRID 407531 반응식
HRID 407531반응물로uspto-grants-2014_06
HRID 1970193 반응식
HRID 1970193생성물로uspto-grants-2013_04
HRID 1970195 반응식
HRID 1970195반응물로uspto-grants-2013_04

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