67801-38-1

• 常用中文名：4-(2,4,6-三甲基-3-环己烯-1-基)-3-丁烯-2-酮
• 常用英文名：orris butenone
• CAS号：67801-38-1
• 分子式：C₁₃H₂₀O
• 分子量：192.29700
• 发布时间：2018-12-29 17:01:45
• 更新时间：2024-01-11 12:32:46

名称

• 中文名: 4-(2,4,6-三甲基-3-环己烯-1-基)-3-丁烯-2-酮
• 英文名: iritone
• 英文别名: TRIMETHYL CYCLOHEXENYL BUTENONE; Einecs 267-158-2

物化性质

• 密度: 0.927g/cm3
• 沸点: 276ºC at 760 mmHg
• 分子式: C₁₃H₂₀O
• 分子量: 192.29700
• 闪点: 116.9ºC
• 精确质量: 192.15100
• PSA: 17.07000
• LogP: 3.37000
• 折射率: 1.508

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : EN0345000 CHEMICAL NAME : 3-Buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)- CAS REGISTRY NUMBER : 67801-38-1 BEILSTEIN REFERENCE NO. : 3243121 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C13-H20-O HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,131S,1992 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,131S,1992

合成路线

67-64-1 ~% 67801-38-1

文献：I.G. Farbenind. Patent: DE545398 , 1929 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 17, p. 582,583

107-41-5 ~% 67801-38-1

文献：Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216

625-27-4 ~% 67801-38-1

文献：Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216

54305-88-3 ~% 67801-38-1

文献：Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216

1118-58-7 ~% 67801-38-1

文献：Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216

1423-46-7 67-64-1 ~% 67801-38-1

文献：Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216

1891-67-4 67-64-1 ~% 67801-38-1

文献：Naves Helvetica Chimica Acta, 1948 , vol. 31, p. 1108 Full Text Show Details Naves; Grampoloff; Bachmann Helvetica Chimica Acta, 1947 , vol. 30, p. 1599,1609 Full Text Show Details Seidel; Schinz; Ruzicka Helvetica Chimica Acta, 1949 , vol. 32, p. 2102,2115, 2119