5585-39-7

• 常用中文名：(E)-3,7-二甲基-2,6-辛二烯腈
• 常用英文名：(E)-3,7-Dimethyl-2,6-octadienenitrile
• CAS号：5585-39-7
• 分子式：C₁₀H₁₅N
• 分子量：149.23300
• 发布时间：2018-11-22 19:40:06
• 更新时间：2025-08-27 15:04:51

名称

• 中文名: (E)-3,7-二甲基-2,6-辛二烯腈
• 英文名: (E)-3,7-Dimethyl-2,6-octadienenitrile
• 英文别名: NERAL; cis-Citral; Citral b; 3,7-dimethyl-2,6-octadienonitrile; Neroli aldehyde; geranylnitrile; trans-3,7-dimethyl-2,6-octadienenitrile; trans-geranonitrile

物化性质

• 密度: 0.858g/cm3
• 沸点: 247.9ºC at 760mmHg
• 分子式: C₁₀H₁₅N
• 分子量: 149.23300
• 闪点: 103.7ºC
• 精确质量: 149.12000
• PSA: 23.79000
• LogP: 3.20268
• 折射率: n20/D 1.475(lit.)

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : RG5370000 CHEMICAL NAME : 2,6-Octadienenitrile, 3,7-dimethyl-, (E)- CAS REGISTRY NUMBER : 5585-39-7 LAST UPDATED : 199701 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C10-H15-N MOLECULAR WEIGHT : 149.26 WISWESSER LINE NOTATION : NC1UY1&3UY1&1 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 : 3100 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: 14,787,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 4300 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: 14,787,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0424 No. of Facilities: 29 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 230 (estimated)

安全

• 危害码 (欧洲): Xn,N
• 风险声明 (欧洲): 51/53-68
• 危险品运输编码: UN 3082 9/PG 3
• WGK德国: 1

合成路线

35278-77-4 ~% 31983-27-4 5585-39-7

文献：ACS Catalysis, , vol. 3, # 7 p. 1652 - 1656

110-93-0 2537-48-6 ~83% 5585-39-7

文献：Gebhard, R.; Courtin, J. M. L.; Shadid, J. B.; Haveren, J. van; Haeringen, C. J. van; Lugtenburg, J. Recueil des Travaux Chimiques des Pays-Bas, 1989 , vol. 108, # 6 p. 207 - 214

141-27-5 ~48% 4698-08-2 5585-39-7

文献：Yamazaki, Shigakazu; Yamazaki, Yasuyuki Chemistry Letters, 1990 , # 4 p. 571 - 574

106-24-1 ~41% 141-27-5 5585-39-7

文献：Chemistry Letters, , # 4 p. 571 - 574

23089-87-4 ~% 5585-39-7

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 108, # 6 p. 207 - 214

6246-48-6 ~84% 5585-39-7

文献：Maeda, Yasunari; Nishimura, Takahiro; Uemura, Sakae Bulletin of the Chemical Society of Japan, 2003 , vol. 76, # 12 p. 2399 - 2403

624-15-7 ~% 31983-27-4 5585-39-7

文献：Organic Letters, , vol. 15, # 8 p. 1850 - 1853

106-24-1 ~% 5585-39-7

文献：Chemistry Letters, , # 4 p. 571 - 574

870-63-3 ~% 5585-39-7

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 108, # 6 p. 207 - 214

上下游产品

上游产品  9
6246-48-6 35278-77-4 624-15-7 110-93-0
2537-48-6 141-27-5 106-24-1 23089-87-4
870-63-3
下游产品  4
40188-41-8 51566-62-2 79-77-6 141-27-5