2-乙基-1-己醇

外观与性状：

澄清的液体。

密度：

0.833 g/mL at 25 °C(lit.)

熔点：

−76 °C(lit.)

沸点：

183-186 °C(lit.)

闪点：

171 °F

水溶解性：

1 g/L (20 ºC)

折射率：

n20/D 1.431(lit.)

蒸汽压：

0.207mmHg at 25°C

蒸汽密度：

4.49 (vs air)

存储条件/存储方法：

储存于阴凉、通风的库房。远离火种、热源。应与氧化剂、酸类等分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。可用铁、软钢、铜或铝制容器贮存。

稳定性相关：

1. 避免与强氧化剂、强酸、酰基氯接触。

其它信息：

1.       性状：无色至淡黄色油状液体，有甜味和淡淡的花香。

2.       沸点（ºC,101.3kPa）：184.6

3.       沸点（ºC,2.0kPa）：184~185

4.       熔点（ºC）：-70

5.       相对密度（g/mL,25/4ºC）：0.8327

6.       相对蒸汽密度（g/mL,空气=1）：4.49

7.       折射率（n20ºC）：1.4316

8.       黏度（mPa·s,20ºC）：9.8

9.       闪点（ºC,开口）：81

10.    蒸发热（KJ/kg）：367.6

11.    比热容（KJ/(kg·K),25ºC,定压）：2.36

12.    蒸气压（kPa,20ºC）：0.048

13.    蒸气压（kPa,79ºC）：1.33

14.    蒸气压（kPa,110ºC）：6.67

15.    凝固点（ºC）：-70

16.    溶解度（%,20ºC,水）：0.07

17.    体膨胀系数（K^-1）：0.00073

18.    溶解性：能与多种有机溶剂混溶，能溶解橡胶、树脂、蜡、植物油、矿物油、动物油、染料等。微溶于水。溶于720倍的水。

19.    相对密度（25℃，4℃）：0.8290

20.    常温折射率（n²⁵）：1.4290

21.    临界温度（ºC）：366.85

22.    临界压力（MPa）：2.8

23.    偏心因子：0.594

24.   溶度参数(J·cm^-3)^0.5：21.308

25.   van der Waals面积（cm²·mol^-1）：1.302×10¹⁰

26.   van der Waals体积（cm³·mol^-1）：93.310

27.   气相标准燃烧热(焓)(kJ·mol^-1)：5355.2

28.   气相标准声称热(焓)( kJ·mol^-1) ：-365.3

29.   液相标准燃烧热(焓)(kJ·mol^-1)：-5287.78

30.   液相标准声称热(焓)( kJ·mol^-1)：-432.75

31.   液相标准热熔(J·mol^-1·K^-1)：291.0

包装等级：

I; II; III

海关代码：

2905199090

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R21;R36

安全说明：

S26-S36/39-S36/37/39-S36

RTECS号：

MP0350000

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。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

MP0350000

CHEMICAL NAME :

1-Hexanol, 2-ethyl-

CAS REGISTRY NUMBER :

104-76-7

BEILSTEIN REFERENCE NO. :

1719280

LAST UPDATED :

199710

DATA ITEMS CITED :

33

MOLECULAR FORMULA :

C8-H18-O

MOLECULAR WEIGHT :

130.26

WISWESSER LINE NOTATION :

Q1Y4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Open irritation test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3730 mg/kg

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LC - Lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>2000 ppm/6H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>3 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

650 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Parenteral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4600 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

759 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Parenteral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1670 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1180 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1970 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

1860 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

9 gm/kg/11D-I

TOXIC EFFECTS :

Gastrointestinal - ulceration or bleeding from stomach Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

16250 mg/kg/13W-I

TOXIC EFFECTS :

Gastrointestinal - other changes Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

14 gm/kg/17D-I

TOXIC EFFECTS :

Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other hydrolases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

25200 mg/kg/3W-C

TOXIC EFFECTS :

Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

260 gm/kg/2Y-I

TOXIC EFFECTS :

Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

7506 mg/kg/11D-I

TOXIC EFFECTS :

Endocrine - changes in spleen weight Blood - changes in other cell count (unspecified) Skin and Appendages - dermatitis, other (after systemic exposure)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

9 gm/kg/11D-I

TOXIC EFFECTS :

Gastrointestinal - other changes Liver - changes in liver weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

16250 mg/kg/13W-I

TOXIC EFFECTS :

Liver - other changes Liver - changes in liver weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1628 mg/kg

SEX/DURATION :

female 12 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

12 gm/kg

SEX/DURATION :

female 7-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

12200 mg/kg

SEX/DURATION :

female 6-13 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TYPE OF TEST :

Mutation in microorganisms

TEST SYSTEM :

Bacteria - Salmonella typhimurium

DOSE/DURATION :

500 umol/L

REFERENCE :

EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 45,111,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0262 No. of Facilities: 3280 (estimated) No. of Industries: 67 No. of Occupations: 62 No. of Employees: 45342 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0262 No. of Facilities: 11356 (estimated) No. of Industries: 97 No. of Occupations: 74 No. of Employees: 117564 (estimated) No. of Female Employees: 11656 (estimated)

毒理学数据：

毒性分级      中毒

生态数据：

该物质对水有稍微的危害。

中国海关编码：2905199090

概述：

2905199090. 其他饱和一元醇. 增值税率:17.0%. 退税率:13.0%. 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, 包装

摘要/Summary：

2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构数据

1、   摩尔折射率：40.60

2、   摩尔体积（cm³/mol）：158.4

3、   等张比容（90.2K）：364.5

4、   表面张力（dyne/cm）：28.0

5、   介电常数：2.27

6、   偶极距（10^-24cm³）：

7、   极化率：16.09

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:1

3.氢键受体数量:1

4.可旋转化学键数量:5

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:9

8.表面电荷:0

9.复杂度:52.5

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:1

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

• 
  2-乙基-1-己醇质谱(MS)
• 
  2-乙基-1-己醇核磁图(¹³CNMR)
• 
  2-乙基-1-己醇核磁图(¹HNMR)
• 
  2-乙基-1-己醇红外图谱(IR1)
• 
  2-乙基-1-己醇红外图谱(IR2)
• 
  2-乙基-1-己醇Raman光谱