| 中文名 |
2-乙基己醇
|
| 英文名 |
2-ethylhexan-1-ol
|
| 中文别名 |
2-乙基-1-己醇
|
| 英文别名 |
2-Aethyl-naphthalin
EINECS 203-234-3
Octyl Alcohol
BuCH(Et)CH2OH
2-Ethylhexanol
2-ethylhexyl alcohol
Alcohol, 2-ethylhexyl
2-ethyl-n-hexyl alcohol
ethylnaphthalene
1-Hexanol, 2-ethyl-
2-Ethyl-1-hexanol
2-ethylbenzenenaphthalene
2-ethyl naphthalene
Naphthalene,2-ethyl
2-ethyl-n-hexanol
isooctanol
MFCD00004746
2-ethylhexan-1-ol
hexanol, 2-ethyl-
2-ethyl-hexan-1-ol
|
| 密度 |
0.8±0.1 g/cm3
|
| 沸点 |
184.6±0.0 °C at 760 mmHg
|
| 熔点 |
−76 °C(lit.)
|
| 分子式 |
C8H18O
|
| 分子量 |
130.228
|
| 闪点 |
77.2±0.0 °C
|
| 精确质量 |
130.135757
|
| PSA |
20.23000
|
| LogP |
2.82
|
| 外观性状 |
澄清的液体。
|
| 蒸汽密度 |
4.49 (vs air)
|
| 蒸汽压 |
0.2±0.7 mmHg at 25°C
|
| 折射率 |
1.426
|
| 储存条件 |
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 |
1. 避免与强氧化剂、强酸、酰基氯接触。 2.无色至淡黄色油状液体,有甜味和淡淡的花香。溶于720倍水,混溶于多数有机溶剂。与水能形成共沸混合物,可燃,低毒。。避免吸入蒸气和长期与皮肤接触。对金属无腐蚀性,具有伯醇的化学反应性。 3.存在于烟气中。 4. 天然存在于苹果、干酪、小麦面包中。
|
| 水溶解性 |
1 g/L (20 ºC)
|
| 分子结构 |
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 |
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
|
| 更多 |
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
|
毒理学数据:
毒性分级 中毒 急性毒性 口服- 大鼠 LD50: 3730 毫克/ 公斤; 口服- 小鼠 LD50: 2500 毫克/ 公斤。 刺激数据 皮肤- 兔子 500 毫克/ 24小时 中度; 眼- 兔子 20 毫克/ 24小时 中度。
生态学数据:
该物质对水有稍微的危害。
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)
|
【方法一】
由乙醛缩合成丁醇醛,脱水得巴豆醛,加氢得正丁醛,经缩合脱水得2-乙基-2-己烯醛,再加氢而得。
【方法二】
1.羰基合成法 以丙烯和合成气为原料,经羰基合成反应生成丁醛,两分子丁醛经缩合脱水得2-乙基(-2-)己烯醛,再经加氢得2-乙基(-1-)己醇。2.乙醛缩合法 以乙醛缩合成丁醇醛,脱水得巴豆醛,加氢得正丁醛,然后将两分子正丁醛缩合脱水得2-乙基(-2-)己烯醛,再加氢得2-乙基(-1-)己醇。
| 海关编码 |
2905199090
|
| 中文概述 |
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
|
| Summary |
2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
|
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