기본 정보
- CAS
39711-79-0- 표준 SMILES
CCNC(=O)C1CC(C)CCC1C(C)C- InChIKey
VUNOFAIHSALQQH-UHFFFAOYSA-N- 분자식
- C13H25NO
- 평균 분자량
- 211.34 g/mol
- 단동위원소 질량
- 211.19361442
개요
Ethyl menthane carboxamide is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
- IUPAC
- N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
- 현지명
- 에틸멘탄카복사마이드
- 영어명
- N-Ethyl-p-menthane-3-carboxamide
- 분자식
- C13H25NO
- 분자량
- 211.34
이름 및 동의어
39711-79-0N-Ethyl-p-menthane-3-carboxamideN-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamideEthyl menthane carboxamideCyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-N-Ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamideDTXSID5047039N-Ethyl-5-methyl-2-(1-methylethyl)cyclohexanecarboxamideEINECS 254-599-06S7S02945HN-ethyl-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamideUNII-6S7S02945H
이름 더 보기
에틸멘탄카복사마이드WS-3Menthol CarboxamideN-ETHYL-2-ISOPROPYL-5-METHYLCYCLOHEXANE CARBOXAMIDEFEMA 3455Cooling Agent WS-3N-ETHYL-4-MENTHANE-3-CARBOXAMIDEN,2,3-trimethyl-2isopropl butanamideCooling taste agent ws-23
DTXCID3027039ETHYL MENTHANE CARBOXAMIDE [MI]N-Ethyl-5-methyl-2-(1-methylethyl)-cyclohexane-carboxamideETHYL-2-ISOPROPYL-5-METHYLCYCLOHEXANE CARBOXAMIDE [FHFI]ethyl-2-isopropyl-5-methylcyclohexane carboxamideRefChem:129562ETHYL MENTHANE CARBOXAMIDE [INCI]TRPM8 agonist WS-3
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 213
실험 및 물리화학적 성질
CosmeticsTonic
FragrancesFragrance Ingredient (N-Ethyl-2-isopropyl-5-methylcyclohexane carboxamide) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Melting Point91 - 93 °C
Physical Description
Solid
White solid; Slight menthol like cooling effect
Collision Cross Section152.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5047039]
물리화학적 성질
- 녹는점
- 87 · 87-102 °C
- 끓는 점
- 351.04 °C · 351.04°C (rough estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Not Classified
Aggregated GHS information provided per 1640 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: N-ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide (EC: 254-599-0)
Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- 독성
- LD50 in mice, rats (g/kg): 5.3, 2.9 orally (Parrish)
- HS 번호
- 29242990
- risk_code
- 36-41-22
- hazard_code
- Xi,Xn
- safety_code
- 39-26
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Tonic
General Manufacturing InformationCyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-: ACTIVE
응용 분야
용도Physiological coolant in foods, beverages, toiletries, cosmetics and pharmaceuticals.
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创之源生物科技有限公司13012111162 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
吉安市国光香料厂18607067153 18607067153
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