5-甲基-2-(1-甲基亚乙基)环己酮
- 中文名称：
- 5-甲基-2-(1-甲基亚乙基)环己酮
- 中文别名：
- 5-甲基-2-(1-甲基亚乙基)环己酮;
5-甲基-2-异亚丙基环己酮 胡薄荷酮
- 英文名称：
- Cyclohexanone,5-methyl-2-(1-methylethylidene)-
- 英文别名：
- p-menth-4(8)-en-3-one;
(S)-p-Menth-4(8)-en-3-one;
2-Isopropylidene-5-methylcyclohexanone;
(+-)-p-Menth-4(8)-en-3-on;
(-)-Pulegone;
5-methyl-2-(1-methylethylidene)cyclohexanone;
(R/S)-pulegone;
(S)-(-)-Pulegone
- CAS No.：
- 15932-80-6
- 分 子 式：
-
C10H16O
- 分 子 量：
- 152.26
- 精确分子量：
- 152.12000
- PSA：
- 17.07000
- EINECS：
- 240-070-1
- BRN：
- 3195396
- InChI：
- The Key: NZGWDASTMWDZIW-UHFFFAOYSA-N3
- 安全术语：
- Poison by intraperitoneal route. Moderately toxic by ingestion, skin contact, and subcutaneous routes. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
- 分子结构式：
-
- SDS：
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5-甲基-2-(1-甲基亚乙基)环己酮 制备方法及用途
5-甲基-2-(1-甲基亚乙基)环己酮 物化性质
- 密度：
- 0.923g/cm3
- 沸点：
- 224ºC at 760mmHg
- 闪点：
- 92.5ºC
- 折射率：
- 1.469
- 蒸汽压：
- 0.0934mmHg at 25°C
- 稳定性相关：
1. 存在于主流烟气中。
- 其它信息：
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(n20D)：1.4869
5.溶解性：不溶于水，与乙醇、乙醚、氯仿混溶。
5-甲基-2-(1-甲基亚乙基)环己酮 毒理性
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
5-甲基-2-(1-甲基亚乙基)环己酮 分子结构与计算化学数据
计算化学数据
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
推荐供应商
扬中市合成化工厂
胡薄荷酮
- 联系人：耿美蓉
- 电 话：0511-88561294
- 手 机：013905284673
- Cas号：15932-80-6
- 包装：2kg
- 纯度：98%-99%
- 价格：洽谈
