기본 정보
- CAS
51115-67-4- 표준 SMILES
CNC(=O)C(C)(C(C)C)C(C)C- InChIKey
RWAXQWRDVUOOGG-UHFFFAOYSA-N- 분자식
- C10H21NO
- 평균 분자량
- 171.28 g/mol
- 단동위원소 질량
- 171.16231429
개요
N,2,3-Trimethyl-2-(1-methylethyl)butanamide is a fatty amide.
이름 및 식별자
- 우선 이름
- Methyl diisopropyl propionamide
- IUPAC
- N,2,3-trimethyl-2-propan-2-ylbutanamide
- 현지명
- 메틸다이아이소프로필프로피온아마이드
- 영어명
- 2-Isopropyl-N,2,3-trimethylbutyramide
- 분자식
- C10H21NO
- 분자량
- 171.28
이름 및 동의어
51115-67-42-Isopropyl-N,2,3-trimethylbutanamide2-Isopropyl-N,2,3-trimethylbutyramideMethyl diisopropyl propionamideWS-23N,2,3-trimethyl-2-propan-2-ylbutanamideN,2,3-Trimethyl-2-isopropylbutanamideTrimethyl isopropyl butanamideN,2,3-Trimethyl-2-(1-methylethyl)butanamideButanamide, N,2,3-trimethyl-2-(1-methylethyl)-N,2,3-trimethyl-2-(propan-2-yl)butanamideFEMA NO. 3804
이름 더 보기
메틸다이아이소프로필프로피온아마이드N,2,3-트리메틸-2-이소프로필부타미드FEMA 3804N,2,3-Trimethyl-2-isopropylbutanamide,WS-233-trimethylbutyramidemethyldiisopropylpropionamide
6QOP5A9489WS 23EINECS 256-974-4DTXSID401991242-ISOPROPYL-N,2,3-TRIMETHYLBUTYRAMIDE [FHFI]TRIMETHYL ISOPROPYL BUTANAMIDE [MI]RefChem:817726DTXCID70121615
데이터베이스 식별자
- CAS
51115-67-4
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 153
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
CosmeticsMasking
FragrancesFragrance Ingredient (2-Isopropyl-N,2,3-trimethylbutyramide) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water and fats; Soluble in diethyl ether, and hydrocarbons
Soluble (in ethanol)
Boiling Point233.00 to 234.00 °C. @ 760.00 mm Hg
Melting Point56 - 64 °C
Physical Description
Solid
White crystalline solid; Cool minty aroma
물리화학적 성질
- 녹는점
- 58 · 58-61 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (36 of 1455) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1455 reports by companies from 7 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Butanamide, N,2,3-trimethyl-2-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-isopropyl-N,2,3-trimethylbutyramide (EC: 256-974-4)
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- HS 번호
- 29242990
- risk_code
- 36/37/38-52/53
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Household ProductsInformation on 2 consumer products that contain Methyl diisopropyl propionamide in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Masking
General Manufacturing InformationButanamide, N,2,3-trimethyl-2-(1-methylethyl)-: ACTIVE
응용 분야
용도Physiological coolant in foods, beverages, tobacco products, toiletries, cosmetics and pharmaceuticals.
상·하류 제품 정보
상류 원료
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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