海关代码：

2930909026

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R36

安全说明：

S23-S26-S36/37/39-S45-S36

RTECS号：

KM2975000

危险标志：

Xi:Irritant;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KM2975000

CHEMICAL NAME :

Ethanol, 2,2'-thiodi-

CAS REGISTRY NUMBER :

111-48-8

BEILSTEIN REFERENCE NO. :

1236325

LAST UPDATED :

199701

DATA ITEMS CITED :

10

MOLECULAR FORMULA :

C4-H10-O2-S

MOLECULAR WEIGHT :

122.20

WISWESSER LINE NOTATION :

Q2S2Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Open irritation test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 11/3/1971

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

6610 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: 23,259,1941

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4 gm/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: 93,1,1948

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4 gm/kg

TOXIC EFFECTS :

Gastrointestinal - other changes Liver - hepatitis (hepatocellular necrosis), diffuse Endocrine - other changes

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: 93,1,1948

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

20 mL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 11/3/1971

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

3 gm/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: 93,1,1948

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

3960 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82023 No. of Facilities: 167 (estimated) No. of Industries: 6 No. of Occupations: 13 No. of Employees: 5259 (estimated)

毒理学数据：

1、刺激性：兔子经皮开放性刺激试验：500mg  轻度刺激。

                      兔子经眼标准徳雷兹染眼试验：500mg  中度刺激。

2、急性毒性：大鼠经口LD50：6610mg/kg；大鼠经皮下LD50：4g/kg；

                         小鼠经皮下LD50：4g/kg；兔子经皮LD50：20ml/kg；

                          兔子经静脉LD50：3g/kg；豚鼠经口LD50：3960mg/kg

生态数据：

对水体有轻微的危害。

中国海关编码：2930909026

概述：

2930909026 硫二甘醇〔二(3-羟乙基)硫醚、硫代双乙醇〕。监管条件:23(两用物项和技术进口许可证,两用物项和技术出口许可证)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途

监管条件：

2.两用物项和技术进口许可证3.两用物项和技术出口许可证

摘要/Summary：

2930909026 2,2'-thiodiethanol。supervision conditions:23(import license for dual-use item and technologies,export license for dual-use item and technologies)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:30.0%

分子结构数据

1、 摩尔折射率：31.64

2、 摩尔体积（cm³/mol）：103.5

3、 等张比容（90.2K）：275.4

4、 表面张力（dyne/cm）：50.0

5、 极化率（10-24cm3）：12.54

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积65.8

7.重原子数量:7

8.表面电荷:0

9.复杂度:28.9

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:0

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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  2'-硫基二乙醇核磁图(¹HNMR)
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  2
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  2'-硫基二乙醇核磁图(¹³CNMR)
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  2