制备方法

溶剂、有机合成中间体。

用途简介

用途

溶剂、有机合成中间体。

海关代码：

2905399090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin .

安全说明：

S26-S36-S37/39

RTECS号：

MO2275000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。

危险标志：

Xn

CHEMICAL IDENTIFICATION

RTECS NUMBER :

MO2275000

CHEMICAL NAME :

2,5-Hexanediol

CAS REGISTRY NUMBER :

2935-44-6

BEILSTEIN REFERENCE NO. :

1719248

LAST UPDATED :

199806

DATA ITEMS CITED :

11

MOLECULAR FORMULA :

C6-H14-O2

MOLECULAR WEIGHT :

118.20

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 :

2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 23,418,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4846 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 45,669,1956

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

16300 uL/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: 30,63,1948 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

29400 mg/kg/11W-I

TOXIC EFFECTS :

Autonomic Nervous System - other (direct) parasympathomimetic

REFERENCE :

EESADV Ecotoxicology and Environmental Safety. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1977- Volume(issue)/page/year: 3,204,1979

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

35 gm/kg/5W-C

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - retinal changes (pigmentary depositions, retinitis, other) Autonomic Nervous System - other (direct) parasympathomimetic

REFERENCE :

ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 67,277,1993

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

7 gm/kg/7D-I

TOXIC EFFECTS :

Endocrine - other changes Endocrine - changes in thymus weight

REFERENCE :

IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 24,371,1986

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

22423 mg/kg/7D-I

TOXIC EFFECTS :

Endocrine - changes in adrenal weight Endocrine - changes in thymus weight Immunological Including Allergic - decrease in humoral immune response

REFERENCE :

ENVRAL Environmental Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1967- Volume(issue)/page/year: 36,14,1985

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - chicken

DOSE/DURATION :

9 gm/kg/90D-I

TOXIC EFFECTS :

Spinal Cord - demyelination Spinal Cord - other degenerative changes Behavioral - ataxia

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 62,369,1982

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Bird - chicken

DOSE/DURATION :

18 gm/kg/90D-I

TOXIC EFFECTS :

Spinal Cord - other degenerative changes Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Peripheral Nerve and Sensation - structural change in nerve or sheath

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 62,369,1982

毒理学数据：

1 、 试验方法：腹腔 
         摄入剂量： 18 mg/kg/90D-I
         测试对象：鸟类-鸡
         毒性类型： MutipleDose
         毒性作用： 1.其他退行性变化 2.神经和感觉发生痉挛性瘫痪或无感觉的变化 3.神经和感觉发生结构性变化

2、 试验方法：口服
        摄入剂量： 2毫克/千克
        测试对象：啮齿动物-鼠 
        毒性类型：急性
        毒性作用：详细的毒副作用没有报告以外的其他致死剂量值

3 、 试验方法：口服
         摄入剂量： 4846毫克/千克
         测试对象：啮齿动物-鼠
         毒性类型：急性
         毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值

4、  口服有毒。对眼睛、呼吸系统及皮肤有刺激性。

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

中国海关编码：2905399090

概述：

2905399090 其他二元醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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, 包装

监管条件：

A.入境货物通关单B.出境货物通关单

检验检疫：

R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验

摘要/Summary：

2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

分子结构数据

1、   摩尔折射率：32.83

2、   摩尔体积（cm³/mol）：123.3

3、   等张比容（90.2K）：299.0

4、   表面张力（dyne/cm）：34.5

5、   极化率（10^-24cm³）：13.01

计算化学数据

1.疏水参数计算参考值（XlogP）:0.4

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积40.5

7.重原子数量:8

8.表面电荷:0

9.复杂度:46.5

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

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  5-己二醇红外图谱(IR1)