4,4a,5,6-テトラヒドロ-7-メチルナフタレン-2(3H)-オン

7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone

HCID 61935CAS 34545-88-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1=CC2=CC(=O)CCC2CC1
InChIKey: NGSXTBFUMNXJDK-UHFFFAOYSA-N
分子式: C11H14O
平均分子量: 162.23 g/mol
単同位体質量: 162.10446507

名称と識別子

優先名称: 7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone
IUPAC: 7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
現地名: 4,4a,5,6-テトラヒドロ-7-メチルナフタレン-2(3H)-オン
英語名: 7-Methyl-4,4a-5,6-tetrahydro-2(3H)naphthalenone
分子式: C11H14O
分子量: 162.23

名称と別名

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

名称をさらに表示

4,4a,5,6-テトラヒドロ-7-メチルナフタレン-2(3H)-オン7-メチル-4,4a,5,6-テトラヒドロ-2(3H)-ナフタレノン7-メチル-2,3,4,4a,5,6-ヘキサヒドロナフタレン-2-オン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

データベース識別子

CAS: 34545-88-5
PubChem CID: 61935
DTXSID: DTXSID90865721
ChEBI: CHEBI:197274
UNII: 4TIV4S045F
EC Number: 252-079-8
Nikkaji: J250.912A

物性

構造計算による物性

XLogP: 1.5
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 271

実験および物理化学的性質

Solubility · 2 件

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

物理化学的性質

FEMA: 3715 · 3715 | 7-METHYL-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENONE
臭い (Odor): 10 %。トーストしたココナッツトンカ · ジプロピレングリコール中10.00%。トーストしたココナッツトンカ
においのタイプ: ココナッツ
JECFA Number: 1405 · 1405
LogP: 2.13 · 2.13

化学的性質

化学的特性7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone has a sweet coumarin-like odor

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 3 件

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

法規制情報

Regulatory Information · 3 件

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

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular；Membrane

用途と製造

Use Classification · 2 件

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

応用分野

説明7-Methyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone has a sweet coumarin-like odor.

サプライヤー2 社

PENTA[email protected]

3B Scientific Corporation[email protected]