CAS 4573-50-6 Piperitone, L- (HCID 107561)

部分構造検索類似構造を探す

基本情報

CAS: 4573-50-6
標準SMILES: CC1=CC(=O)[C@@H](C(C)C)CC1
InChIKey: YSTPAHQEHQSRJD-SECBINFHSA-N
分子式: C10H16O
平均分子量: 152.23 g/mol
単同位体質量: 152.12011513

概要

(-)-piperitone is a piperitone. It is an enantiomer of a (+)-piperitone.

名称と識別子

優先名称: Piperitone, L-
IUPAC: (6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
現地名: (R)-6-イソプロピル-3-メチル-2-シクロヘキセン-1-オン
英語名: (R)-6-(isopropyl)-3-methylcyclohex-2-en-1-one
分子式: C10H16O
分子量: 152.23

名称と別名

l-piperitone4573-50-6(-)-piperitonePiperitone, L-(R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-8GZY0Q0N20FEMA NO. 4200FEMA NO. 2910, L-EINECS 224-957-0L-PIPERITONE [FHFI]CHEBI:48934

名称をさらに表示

(R)-(-)-ピペリトン(R)-6-イソプロピル-3-メチル-2-シクロヘキセン-1-オン(-)-ピペリトン(±)-Piperitonelaevo-piperitone(R)-(-)-PiperitoneL-PIPERITONE, NATURALL-PIPERITONE, SYNTHETIC(R)-6-Isopropyl-3-methyl-2-cyclohexen-1-one

DTXSID10884090(6R)-6-isopropyl-3-methylcyclohex-2-en-1-one(6R)-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-oneRefChem:863610DTXCID001023560224-957-0(R)-6-Isopropyl-3-methylcyclohex-2-en-1-one(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one

データベース識別子

CAS: 4573-50-6
PubChem CID

物性

構造計算による物性

XLogP: 2.2
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: 1
重原子数: 11
形式電荷: 0
複雑度: 189

実験および物理化学的性質

SpringerMaterials PropertiesDensity

FragrancesFragrance Ingredient (l-Piperitone) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.929-0.934

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Insoluble in water

Soluble (in ethanol)

物理化学的性質

沸点: 235 ℃[at · 235℃[at 101 325 Pa]
比重(密度): 0.934 · 0.934[at 20℃]
蒸気圧: 20 Pa · 20Pa at 25℃

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 28.1% (390 of 1388) of reports.

Warning

H315 (71.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 1388 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (R)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

REACH registered substance: (R)-6-(isopropyl)-3-methylcyclohex-2-en-1-one (EC: 224-957-0)

Hazard Classes and CategoriesSkin Irrit. 2 (71.9%)

安全データ

wgk: WGK 3
tsca: TSCA listed
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-: ACTIVE

サプライヤー10 社

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上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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九鼎化学（上海）科技有限公司4009209199 · [email protected]

BOC Sciences[email protected]

化合物ノート

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