15932-80-6

• 常用中文名：5-甲基-2-(1-甲基亚乙基)环己酮
• 常用英文名：pulegone
• CAS号：15932-80-6
• 分子式：C₁₀H₁₆O
• 分子量：152.23300
• 发布时间：2018-12-26 18:00:18
• 更新时间：2024-01-12 02:01:39

名称

• 中文名: 5-甲基-2-(1-甲基亚乙基)环己酮
• 英文名: p-menth-4(8)-en-3-one
• 英文别名: (+-)-p-Menth-4(8)-en-3-on; (S)-p-Menth-4(8)-en-3-one; (-)-Pulegone; 2-Isopropylidene-5-methylcyclohexanone; (S)-(-)-Pulegone; 5-methyl-2-(1-methylethylidene)cyclohexanone; (R/S)-pulegone

物化性质

• 密度: 0.923g/cm3
• 沸点: 224ºC at 760mmHg
• 分子式: C₁₀H₁₆O
• 分子量: 152.23300
• 闪点: 92.5ºC
• 精确质量: 152.12000
• PSA: 17.07000
• LogP: 2.71190
• 蒸汽压: 0.0934mmHg at 25°C
• 折射率: 1.469
• 稳定性:

  1. 存在于主流烟气中。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.8

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:5

  6.拓扑分子极性表面积17.1

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:197

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：具有令人愉快气味的液体。

  2. 沸点（ºC）：93（1333pa）

  3. 相对密度(d²⁰₄₎ ：0.9376

  4.折射率_(n²⁰_D)：1.4869

  5. 溶解性：不溶于水，与乙醇、乙醚、氯仿混溶。

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : OT0260000 CHEMICAL NAME : p-Menth-4(8)-en-3-one CAS REGISTRY NUMBER : 15932-80-6 LAST UPDATED : 199701 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C10-H16-O MOLECULAR WEIGHT : 152.26 WISWESSER LINE NOTATION : L6VYTJ BUY1&1 E1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,867,1978 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 470 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,867,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1709 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,867,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 3090 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,867,1978 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4480 mg/kg/28D-I TOXIC EFFECTS : Brain and Coverings - other degenerative changes Blood - changes in other cell count (unspecified) Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 19,207,1983

制备

1. 易从薄荷油中提取。