化工社化工社 化学情報印刷レポート · 研究参考用
p-メンタン
1-メチル-4-イソプロピルシクロヘキサン · 1-メチル-4-(1-メチルエチル)シクロヘキサン · 4-イソプロピル-1-メチルシクロヘキサン · ヘキサヒドロ-p-シメン · 1-イソプロピル-4-メチルシクロヘキサン · ｐメンタン · p-メンタン · 1-methyl-4-(1-methylethyl)cyclohexane
識別子と物理属性
| CAS No. | 1329-99-3 |
|---|---|
| 分子式 | C10H20 |
| 平均分子量 | 140.27 g/mol |
| 単同位体質量 | 140.15650064 g/mol |
| SMILES | CC1CCC(C(C)C)CC1 |
| InChIKey | CFJYNSNXFXLKNS-UHFFFAOYSA-N |
| PubChem CID | 7459 |
| ChEBI | CHEBI:25826 |
| EC No. | 202-790-4 |
| DTXSID | DTXSID9025530 |
| 現地名 | p-メンタン |
化学・物理的性質
| XLogP | 4.5 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 1 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 86.2 |
| 脂質 | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| SpringerMaterials Properties | Boiling point |
| 香料 | Fragrance Ingredient (Cyclohexane, 1-_methyl-_4-_(1-_methylethyl)_-) -> IFRA transparency List |
| LogP（分配係数） | 5.56 |
| 密度 | 0.8039 AT 20 °C/4 °C0.7970 |
| 溶解度 | less than 1 mg/mL at 70 °F (NTP, 1992)INSOL IN WATERSOL IN BENZENE, PETROLEUM ETHERVERY SOL IN ALCOHOL, ETHER0.00028 mg/mL at 25 °CInsoluble in water, soluble in alcohol and oils. Poorly soluble in diluted alcohol.620μg/L at 20℃ |
| 沸点 | 170.9 °C AT 725 MM HG170.00 to 171.00 °C. @ 760.00 mm Hg171.0-171.7℃ |
| 融点 | -89.84 °C-87.6 °C-87.6℃ |
| 蒸気圧 | 2.69 [mmHg]3.52hPa at 25℃ |
| 屈折率 | INDEX OF REFRACTION: 1.4431 AT 20 °C/DSADTLER REF NUMBER: 20221 (IR, PRISM)MAX ABSORPTION (ISOOCTANE): 220 NM (LOG E= -0.67)250 NM (LOG E= -1.38)1.45562 (589.3 nm 22℃) |
| Physical Description | P-menthane is a clear liquid. (NTP, 1992)[CAMEO] Nearly colorless liquid with a pine-like odor[MSDSonline] |
| 貯蔵条件 | Store at room temperature |
| 外観・状態 | Colorless moblile liquid. |
| 臭い | 松 |
| ヘンリー定数 | 5.6×10-6 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 安定性 | 安定。可燃性 - 空気と爆発性混合物を形成する可能性があります。強力な酸化剤とは相容れない。 |
| InChI | InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3 |
| InChIKey | CFJYNSNXFXLKNS-UHFFFAOYSA-N |
| SMILES | C1(C)CCC(C(C)C)CC1 |
| LogP（分配係数） | 5.6 at 25℃ |
| CAS データベース | 99-82-1(CAS DataBase Reference) |
| EPAの化学物質情報 | p-Menthane (99-82-1) |
化学的特性
p-Menthane is a colorless liquid with a fragrant fennel-like odor. It occurs naturally, especially in exudates of Eucalyptus fruits. The compound is generally encountered as a mixture of the cis and trans isomers, which have very similar properties.
安全性と法規制
| GHS 分類 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 269 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Cyclohexane, 1-methyl-4-(1-methylethyl)-Cyclohexane, 1-methyl-4-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexane, 1-methyl-4-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12773 |
| 火災危険 | Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992) |
| 有害性の概要 | A mild eye irritant[MSDSonline] See Methylcyclohexane.See Cyclohexane. |
| 反応性グループ | Hydrocarbons, Aliphatic Saturated |
| Reactivity Profile | Saturated aliphatic hydrocarbons, such as P-MENTHANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, they burn exothermically to produce carbon dioxide and water. |
| Air and Water Reactions | Flammable. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable liquids - Category 3 |
| 消火 | Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
用途
用途
有機合成原料。
用途
石鹸、洗剤用香料、芳香剤、洗浄剤等の微香性の溶剤
一般的な説明
Clear liquid.
製法・合成法
合成方法
GPPからリモネン合成酵素による生合成