기본 정보
- 표준 SMILES
CC1=CC2=CC(=O)CCC2CC1- InChIKey
NGSXTBFUMNXJDK-UHFFFAOYSA-N- 분자식
- C11H14O
- 평균 분자량
- 162.23 g/mol
- 단동위원소 질량
- 162.10446507
이름 및 식별자
- 우선 이름
- 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
- IUPAC
- 7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
- 영어명
- 7-Methyl-4,4a-5,6-tetrahydro-2(3H)naphthalenone
- 분자식
- C11H14O
- 분자량
- 162.23
이름 및 동의어
34545-88-5coconut naphthalenoneFEMA No. 37157-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenoneKUMARONE4TIV4S045F2(3H)-Naphthalenone, 4,4A,5,6-tetrahydro-7-methyl-EINECS 252-079-8NSC-757647-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphalenone4,4a,5,6-Tetrahydro-7-methylnaphthalene-2(3H)-one4,4A,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone
이름 더 보기
FEMA 37157-METHYL-4,4a-5,6-TETRAHYDRO-2(3H)NAPHALENONE7-Methyl-4,4a-5,6-tetrahydro-2(3H)naphthalenone4,4a,5,6-Tetrahydro-7-methylnaphthalen-2(3H)-one
NSC 757647-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE [FHFI]RefChem:546832(+-)-7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE, (+-)-252-079-87-methyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone
데이터베이스 식별자
- CAS
34545-88-5- PubChem CID
- 61935
- DTXSID
DTXSID90865721- ChEBI
CHEBI:197274- UNII
- 4TIV4S045F
- EC Number
- 252-079-8
- Nikkaji
- J250.912A
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 271
실험 및 물리화학적 성질
Solubility
Soluble in ether, fat; Insoluble in water
Soluble (in ethanol)
Boiling Point305.00 to 306.00 °C. @ 760.00 mm Hg
Melting Point36.00 to 37.00 °C. @ 760.00 mm Hg
Physical DescriptionLight yellow crystaline powder; Sweet coumarin-like aroma
물리화학적 성질
- FEMA
- 3715 · 3715 | 7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 구운 코코넛 통카
- 냄새 유형
- 코코넛
- JECFA Number
- 1405 · 1405
- LogP
- 2.13 · 2.13
화학적 성질
7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone has a sweet coumarin-like odor
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 90 of 90 reports by companies.；There are 0 notifications provided by 0 of 90 reports by companies with hazard statement code(s).；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
Chemical: 2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory Information
Chemical: 2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-7-methyl-: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
약리 정보
Cellular LocationsCytoplasm；Extracellular；Membrane
용도 및 제조
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
개요7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone has a sweet coumarin-like odor.
공급사2 곳
PENTA[email protected]
3B Scientific Corporation[email protected]
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