기본 정보
- CAS
13368-65-5- 표준 SMILES
C[C@@H]1CCCC(=O)C1- InChIKey
UJBOOUHRTQVGRU-ZCFIWIBFSA-N- 분자식
- C7H12O
- 평균 분자량
- 112.17 g/mol
- 단동위원소 질량
- 112.088815
이름 및 식별자
- 우선 이름
- (+)-3-Methylcyclohexanone
- IUPAC
- (3R)-3-methylcyclohexan-1-one
- 현지명
- (+)-3-메틸사이클로헥사논
- 영어명
- (+)-3-Methylcyclohexanone
- 분자식
- C7H12O
- 분자량
- 112.17
이름 및 동의어
(+)-3-Methylcyclohexanone(R)-(+)-3-Methylcyclohexanone(3R)-3-methylcyclohexan-1-one3-Methylcyclohexanone, (+)-(+)-(3R)-3-MethylcyclohexanoneCyclohexanone, 3-methyl-, (R)-UNII-72794G6S5C(3R)-(+)-3-methylcyclohexanoneEINECS 236-438-672794G6S5CCyclohexanone, 3-methyl-, (3R)-(+)-3-METHYL-1-CYCLOHEXANONE
이름 더 보기
(+)-3-메틸사이클로헥사논Cyclohexanone, 3-methyl-
(3R)-3-METHYLCYCLOHEXANONE, (+)-RefChem:6721013368-65-5(r)-3-methylcyclohexanone(3R)-3-Methylcyclohexanone(R)-3-METHYLCYCLOHEXAN-1-ONER-3-Methylcyclohexan-1-one(r)-3-methyl-cyclohexanone
데이터베이스 식별자
- CAS
13368-65-5- PubChem CID
- 83384
- ChEBI
CHEBI:195659- UNII
- 72794G6S5C
- EC Number
- 236-438-6
- Nikkaji
- J110.740B
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 96
물리화학적 성질
- 끓는 점
- 168 · 168-169 °C(lit.)
- 밀도
- 0.916 g/mL · 0.916 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.446(lit.)
- 인화점
- 125 °F · 125 °F
- 용해도
- Insoluble in water, soluble in alcohol and oils.
- 물리적 상태
- liquid
- Specific Gravity
- 0.92 · 0.92
- 색상
- Colorless
- 냄새
- Fresh, camphoraceous-minty, but rather weak odor of poor tenacity.
- Dielectric constant
- 12.4 · 12.4
- InChI
- InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
- InChIKey
- UJBOOUHRTQVGRU-ZCFIWIBFSA-N
- SMILES
- C1(=O)CCC[C@@H](C)C1
- LogP
- 1.356 · 1.356 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.；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
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 1
- ridadr
- UN 2297 3/PG 3
- risk_code
- 10
- safety_code
- 16-27-36/37/39
- 기존화학 물질
- KE-23707
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도(R)-(+)-3-Methylcyclohexanone may be used in the preparation of (R)-5-methyl-2-(1-methylethylidene-d6)-cyclohexanone [(R)-(+)-pulegone-d6].
제조 방법
By dehydration of Pulegone, which is obtained e. g. as an intermediate in the production of synthetic Menthol.
상·하류 제품 정보
하류 제품
공급사20 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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