1444-64-0

• 常用中文名：2-苯基环己醇
• 常用英文名：Cyclohexanol, 2-phenyl-
• CAS号：1444-64-0
• 分子式：C₁₂H₁₆O
• 分子量：176.25500
• 发布时间：2018-07-08 09:57:39
• 更新时间：2024-01-04 20:15:06

名称

• 中文名: 2-苯基环己醇
• 英文名: Cyclohexanol, 2-phenyl
• 英文别名: Insect repellent 448; 2-PHENYLCYCLOHEXANOL; 2-phenyl-cyclohexano; 2-Fenylcyklohexanol; Esnn; cis-2-Phenylcyclohexanol

物化性质

• 分子式: C₁₂H₁₆O
• 分子量: 176.25500
• 精确质量: 176.12000
• PSA: 20.23000
• LogP: 2.70510
• 储存条件: 2-8°C， 干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积:20.2

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:149

  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 : GW0700000 CHEMICAL NAME : Cyclohexanol, 2-phenyl- CAS REGISTRY NUMBER : 1444-64-0 LAST UPDATED : 199603 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C12-H16-O MOLECULAR WEIGHT : 176.28 WISWESSER LINE NOTATION : L6TJ AQ BR 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 : 3500 uL/kg TOXIC EFFECTS : Skin and Appendages - dermatitis, allergic (after systemic exposure) REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >10 mL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5400 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 2700 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 1600 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 180 mL/kg/13W-I TOXIC EFFECTS : Skin and Appendages - dermatitis, other (after systemic exposure) Related to Chronic Data - death REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948

安全

• 海关编码: 2906299090

合成路线

1444-65-1 ~97% 1444-64-0

文献：Yin, Jingjun; Huffman, Mark A.; Conrad, Karen M.; Armstrong III, Joseph D. Journal of Organic Chemistry, 2006 , vol. 71, # 2 p. 840 - 843

5775-23-5 ~86% 1444-64-0

文献：Erathodiyil, Nandanan; Ooi, Samuel; Seayad, Abdul M.; Han, Yu; Lee, Su Seong; Ying, Jackie Y. Chemistry - A European Journal, 2008 , vol. 14, # 10 p. 3118 - 3125

90-43-7 ~% 6531-86-8 1444-64-0

文献：v. Braun; Gruber; Kirschbaum Chemische Berichte, 1922 , vol. 55, p. 3672

108-86-1 930-68-7 ~% 1444-64-0

文献：Poe, Sarah L.; Morken, James P. Angewandte Chemie - International Edition, 2011 , vol. 50, # 18 p. 4189 - 4192

286-20-4 100-58-3 ~% 1444-64-0

文献：Kano, Taichi; Hayashi, Yumi; Maruoka, Keiji Journal of the American Chemical Society, 2013 , vol. 135, # 19 p. 7134 - 7137

822-87-7 ~% 1444-64-0

文献：Youssef, Abdel-Hamid A.; Sharaf, Saber M.; Hegazy, Fatma M. El Journal fuer Praktische Chemie (Leipzig), 1982 , vol. 324, # 5 p. 725 - 734

1444-65-1 ~% 1444-64-0 2362-61-0

文献：Youssef, Abdel-Hamid A.; Sharaf, Saber M.; Hegazy, Fatma M. El Journal fuer Praktische Chemie (Leipzig), 1982 , vol. 324, # 5 p. 725 - 734

5775-23-5 ~% 1589-60-2 1444-64-0

文献：Fort, Yves; Vanderesse, Regis; Caubere, Paul Tetrahedron Letters, 1985 , vol. 26, # 26 p. 3111 - 3114

上下游产品

上游产品  8
1444-65-1 5775-23-5 90-43-7 108-86-1
930-68-7 286-20-4 100-58-3 822-87-7
下游产品  8
771-98-2 34281-92-0 827-52-1 1444-65-1
21473-05-2 851337-24-1 50599-05-8 54852-67-4

海关

海关编码	2906299090
中文概述	2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%