1073-79-6

• 常用中文名：2,6-二甲基四氢-4h-吡喃-4-酮
• 常用英文名：2,6-DIMETHYLTETRAHYDRO-4H-PYRAN-4-ONE
• CAS号：1073-79-6
• 分子式：C₇H₁₂O₂
• 分子量：128.169
• 发布时间：2019-01-21 12:39:33
• 更新时间：2024-01-29 10:52:16

名称

• 中文名: 2,6-二甲基四氢-4H-吡喃-4-酮
• 英文名: 2,6-dimethyloxan-4-one
• 英文别名: 2,6-DIMETHYLTETRAHYDRO-4H-PYRAN-4-ONE; 2,6-Dimethyl-2,3,5,6-tetrahydro-4H-pyran-4-one; 2,6-Dimethyl-tetrahydro-pyran-4-on; 4H-Pyran-4-one,tetrahydro-2,6-dimethyl; Dimethyltetrahydropyrone; 4H-Pyran-4-one, tetrahydro-2,6-dimethyl-; 2,6-dimethyltetrahydropyran-4-one; Tetrahydro-2,6-dimethyl-4H-pyran-4-one; 2,2-DIMETHYL-4-OXOCYCLOHEXANECARBOXYLIC ACID; 2,6,-Dimethylpyran-4-on; 2,6-Dimethyl tetrahydro-1,4-pyrone

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 185.1±15.0 °C at 760 mmHg
• 分子式: C₇H₁₂O₂
• 分子量: 128.169
• 闪点: 65.5±13.9 °C
• 精确质量: 128.083725
• PSA: 26.30000
• LogP: 0.20
• 蒸汽压: 0.7±0.4 mmHg at 25°C
• 折射率: 1.424
• 分子结构:

  1、 摩尔折射率：34.21

  2、 摩尔体积（cm³/mol）：133.9

  3、 等张比容（90.2K）：133.9

  4、 表面张力（dyne/cm）：25.8

  5、 极化率（10-24cm3）：13.56

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.4

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:2

  6.拓扑分子极性表面积26.3

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:108

  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:2

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UQ1311000 CHEMICAL NAME : 4H-Pyran-4-one, tetrahydro-2,6-dimethyl- CAS REGISTRY NUMBER : 1073-79-6 LAST UPDATED : 198909 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C7-H12-O2 MOLECULAR WEIGHT : 128.19 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949 TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4000 ppm/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949

安全

• 危害码 (欧洲): F: Flammable;
• 海关编码: 2932999099

合成路线

1004-36-0 ~% 1073-79-6

文献：Chemische Berichte, , vol. 48, p. 684

60-29-7 ~% 1073-79-6

文献：US5308852 A1, ;

41866-70-0 ~30% 1073-79-6

文献：US6365751 B1, ; Referential example 17 ;

上下游产品

上游产品  3
1004-36-0 60-29-7 41866-70-0
下游产品  1
626-53-9

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%