基本情報
- 標準SMILES
CC1CCC(C(C)C)CC1- InChIKey
CFJYNSNXFXLKNS-UHFFFAOYSA-N- 分子式
- C10H20
- 平均分子量
- 140.27 g/mol
- 単同位体質量
- 140.15650064
概要
P-menthane is a clear liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 1-Methyl-4-isopropylcyclohexane
- IUPAC
- 1-methyl-4-propan-2-ylcyclohexane
- 現地名
- p-メンタン
- 英語名
- p-Menthane
- 分子式
- C10H20
- 分子量
- 140.27
名称と別名
名称をさらに表示
データベース識別子
- CAS
1329-99-3、1678-82-6、34448-33-4、6069-98-3、99-82-1- PubChem CID
- 7459
- DTXSID
DTXSID9025530- ChEBI
CHEBI:25826- UNII
- CGW5GN8TXU
- EC Number
- 202-790-4、252-034-2、679-820-1、679-821-7、951-486-4、951-489-0
- Nikkaji
- J124.993B、J130.647B、J3.997G
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 0 Ų
- 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
実験および物理化学的性質
Solvents
Solvents -> Aliphatics, Saturated (<C12)
Solvents -> Aliphatics, Saturated (<C12)
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
INSOL IN WATER; SOL IN BENZENE, PETROLEUM ETHER; VERY SOL IN ALCOHOL, ETHER
0.00028 mg/mL at 25 °C
Boiling Point
170.9 °C AT 725 MM HG
170.00 to 171.00 °C. @ 760.00 mm Hg
Melting Point
-89.84 °C
-87.6 °C
Physical Description
P-menthane is a clear liquid. (NTP, 1992)
Liquid
Clear liquid; [CAMEO] Nearly colorless liquid with a pine-like odor; [MSDSonline]
Liquid
物理化学的性質
- 融点
- -87.6 ℃ · -87.6℃
- 沸点
- 171 · 171.0-171.7℃
- 比重(密度)
- 0.797 · 0.7970
- 蒸気圧
- 3.52 hPa · 3.52hPa at 25℃
- 屈折率
- 1.45562 · 1.45562 (589.3 nm 22℃)
- 貯蔵温度
- Store at room temperature
- 溶解性
- Insoluble in water, soluble in alcohol and oils. Poorly soluble in diluted alcohol.
- 外見
- Colorless moblile liquid.
- 臭い (Odor)
- 松
- 水溶解度
- 620 μg/L · 620μg/L at 20℃
- Henry's Law Constant
- 5.6 · 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
- 5.6 at · 5.6 at 25℃
- CAS データベース
- 99 · 99-82-1(CAS DataBase Reference)
- EPAの化学物質情報
- p-Menthane (99-82-1)
化学的性質
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.
安全と法規制
GHS分類
GHS Classification
Danger
H226 (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.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
危険有害性情報
Regulatory Information
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
Hazards Summary
A mild eye irritant; [MSDSonline] See Methylcyclohexane.
See Cyclohexane.
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.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
毒性情報
Adverse Effects
Neurotoxin - Acute solvent syndrome
Neurotoxin - Acute solvent syndrome
安全データ
- tsca
- TSCA listed
- ridadr
- 3295
- risk_code
- 11
- 化審法
- 一般化学物質
- safety_code
- 9-16-26-33
- 有毒物質データの
- 99-82-1(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
General Manufacturing Information
Adhesive Manufacturing
Cyclohexane, 1-methyl-4-(1-methylethyl)-: ACTIVE
Cyclohexane, 1-methyl-4-(1-methylethyl)-, trans-: ACTIVE
Cyclohexane, 1-methyl-4-(1-methylethyl)-, cis-: ACTIVE
応用分野
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.
調製方法
合成方法GPPからリモネン合成酵素による生合成
上流・下流製品情報
上流原料
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関連反応
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