2,2,4-三甲基-1,2-二氢喹啉
- 中文名称:
- 2,2,4-三甲基-1,2-二氢喹啉
- 中文别名:
- 2,2,4-三甲基-1,2-二氢喹啉;
1,2-二氢化-2,2,4-三甲基喹啉;
防老剂RD单体
- 英文名称:
- Quinoline,1,2-dihydro-2,2,4-trimethyl-
- 英文别名:
- 1,2-Dihydro-2,2,4-trimethylquinoline;
1,2-hydro-2,2,4-trimethylquinoline;
Quinoline,1,2-dihydro;
2,2,4-Trimethyl-1,2-dihydroquinone;
Trimethyl dihydroquinoline;
2,2,4-trimethyl-1H-quinoline;
2,2,4-trimethyl-[2H]-dihydroquinoline;
2,2,4-Trimethyl-1,2-dihydroquinoline;
2,2,4-trimethyl-quinoline;
2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLIN-6-OL;
RALOX TMQ Monomer;
Acetone anil;
TRIMETHYL-1,2-DIHYDROQUINOLINE;
2,2,4-Arimethyl-1H-quinoline
- CAS No.:
- 147-47-7
- 分 子 式:
-
C12H15N
- 分 子 量:
- 173.25
- 精确分子量:
- 173.12000
- PSA:
- 12.03000
- EINECS:
- 205-688-8
- InChI:
- The Key: ZNRLMGFXSPUZNR-UHFFFAOYSA-N3
- 分子结构式:
-

- SDS:
- 查看
2,2,4-三甲基-1,2-二氢喹啉 物化性质
- 外观与性状:
- 棕色粉末或片
- 密度:
- 0.951 g/cm3
- 熔点:
- 72 - 94ºC
- 沸点:
- >315ºC (Decomposes)
- 闪点:
- 115ºC
- 折射率:
- 1.58241 (18.2ºC)
- 蒸汽压:
- 0.00715mmHg at 25°C
2,2,4-三甲基-1,2-二氢喹啉 安全信息
- 海关代码:
- 29322980
- WGK_Germany:
- 3
德国有关水污染物质的分类清单
- 安全说明:
- S26-S36
2,2,4-三甲基-1,2-二氢喹啉 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VB4900000
- CHEMICAL NAME :
- Quinoline, 1,2-dihydro-2,2,4-trimethyl-
- CAS REGISTRY NUMBER :
- 147-47-7
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C12-H15-N
- MOLECULAR WEIGHT :
- 173.28
- WISWESSER LINE NOTATION :
- T66 BM CHJ C1 C1 E1
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 :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA.
(Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year:
31(1-3),183,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1450 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA.
(Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year:
31(1-3),183,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IPSTB3 International Polymer Science and Technology. (Rapra Technology
Ltd., Shawbury, Shrewsbury, Shropshire SY4 4NR, UK) Volume(issue)/page/year:
3,93,1976
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 12 gm/kg/30D-I
- TOXIC EFFECTS :
- Liver - liver function tests impaired
Related to Chronic Data - death
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O
Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936-
Volume(issue)/page/year: 31(2),25,1966
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 12500 ug/m3/4H/21W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes in urine composition
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and
Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
V.1-36, 1957-1992. For publisher information, see MTPEEI
Volume(issue)/page/year: 9(8),32,1965
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 18200 mg/kg/13W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight
Endocrine - changes in thymus weight
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- NTPTR* National Toxicology Program Technical Report Series. (Research
Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-456,1997
** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 26 gm/kg/2Y-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Kidney, Ureter, Bladder - Kidney tumors
- REFERENCE :
- NTPTR* National Toxicology Program Technical Report Series. (Research
Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-456,1997
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOHS - National Occupational Hazard Survey (1974)
NOHS Hazard Code - M2990
No. of Facilities: 237 (estimated)
No. of Industries: 9
No. of Occupations: 9
No. of Employees: 2135 (estimated)
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - M2990
No. of Facilities: 190 (estimated)
No. of Industries: 2
No. of Occupations: 8
No. of Employees: 8109 (estimated)
No. of Female Employees: 1529 (estimated)
2,2,4-三甲基-1,2-二氢喹啉 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:55.40
2、 摩尔体积(cm3/mol):181.9
3、 等张比容(90.2K):421.1
4、 表面张力(dyne/cm):28.6
5、 极化率(10-24cm3):21.96
计算化学数据
1.疏水参数计算参考值(XlogP):2.8
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:0
5.互变异构体数量:无
6.拓扑分子极性表面积12
7.重原子数量:13
8.表面电荷:0
9.复杂度:227
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
2,2,4-三甲基-1,2-二氢喹啉 下游产品
2,2,4-三甲基-1,2,3,4-四氢喹啉
2,4-二甲基喹啉
2,2,4-三甲基-1,2,3,4-四氢喹啉
2,4-二甲基喹啉
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