基本情報
- CAS
89-81-6- 標準SMILES
CC1=CC(=O)C(C(C)C)CC1- InChIKey
YSTPAHQEHQSRJD-UHFFFAOYSA-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 p-menthane monoterpenoid that is cyclohex-2-en-1-one substituted by a methyl group at position 3 and an isopropyl group at position 6. It has a role as a volatile oil component and a plant metabolite. It is a p-menthane monoterpenoid and a cyclic terpene ketone.
名称と識別子
- 優先名称
- (+-)-Piperitone
- IUPAC
- 3-methyl-6-propan-2-ylcyclohex-2-en-1-one
- 現地名
- ピペリトン
- 英語名
- Piperitone
- 分子式
- C10H16O
- 分子量
- 152.23
名称と別名
PIPERITONE89-81-63-Carvomenthenone2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one(+-)-Piperitone1VZ8RG269RDTXSID7052604CHEBI:48933RefChem:863609DTXCID1031177p-Menth-1-en-3-one
名称をさらに表示
ピペリトン3-メチル-6-(1-メチルエチル)-2-シクロヘキセン-1-オン3-メチル-6-イソプロピル-2-シクロヘキセン-1-オンp-メンタ-1-エン-3-オンピペリトン (2 エナンチオマー混合物)ピペリトン (鏡像異性体混合物, (R)-(-)-体優位)6-イソプロピル-3-メチル-2-シクロヘキセン-1-オン (鏡像異性体混合物, (R)-(-)-体優位)p-メンタ-1-エン-3-オン (鏡像異性体混合物, (R)-(-)-体優位)PIPERITONPIPERTONEALPHA-PIPERITONE1-P-MENTHEN-3-ONEPiperitone (mixture of enantiomers, predominantly (R)-(-)-form)94.0%(GC)
6-Isopropyl-3-methylcyclohex-2-enone1-Methyl-4-isopropyl-1-cyclohexen-3-oneDL-Piperitone3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one3-methyl-6-(1-methylethyl)-2-cyclohexen-1-oneMFCD000455323-Methyl-6-isopropyl-2-cyclohexen-1-oneNSC-251528
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 17.1 Ų
- 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
FragrancesFragrance Ingredient (Piperitone) -> IFRA transparency List
LogP
2.85
2.85
Flavoring AgentsEU Flavoring substances
Solubilityvery slightly
Boiling Point233.00 to 235.00 °C. @ 760.00 mm Hg
Melting Point< 25 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- -29 °C · -29 °C
- 沸点
- 233 °C · 233°C
- 比重(密度)
- 0 · 0,93 g/cm3
- FEMA
- 2910 · 2910 | D-PIPERITONE
- 屈折率
- -60 ° · -60 ° (C=4, benzene)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- クロロホルム（微量）、酢酸エチル（微量）
- 外見
- 油
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1% (16 of 1634) of reports.
Warning
H315 (99%): 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 1634 reports by companies from 5 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 6-isopropyl-3-methylcyclohex-2-enone (EC: 201-942-7)
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (99%)
安全データ
- wgk
- WGK 1
- tsca
- TSCA listed
- rtecs
- OT0257000
- hs_code
- 2914.29.5000
- 化審法
- (3)-2393
- 消防法
- 危-4-3-III
- safety_code
- 23-24/25
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-: ACTIVE
応用分野
使用Piperitone is a monoterpene compound that has a fresh minty camphor-like odour, and naturally occurs in extracts of commercial oil of peppermint. Piperitone is also used as a starting material in the synthesis of Thymol (T413000), a phenolic compound that is used for its antibacterial properties. The cyclic ketone is more commonly used in flavour compositions, particularly in spice complexes with Caraway, Estragon, etc., and in fruit complexes with mint flavours, etc. Now and then, it has become “fashionable” in dentifrice preparations where larger amounts are used. The concentration normally used is equivalent to about 1 to 20 ppm in the finished product.
一般的な説明This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
上流・下流製品情報
上流原料
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