碘丙甘油
- 中文名称：
- 碘丙甘油
- 中文别名：
- 碘丙甘油;
2-(1-碘乙基)-1,3-二氧代杂烷-4-甲醇
- 英文名称：
- 2-(1-iodoethyl)-1,3-dioxolan-4-ylmethanol
- 英文别名：
- [2-(1-Iodoethyl)-1,3-dioxolan-4-yl]methanol;
Iodopropylidene glycerol;
2-(1-Iodoethyl)-1,3-dioxolan-4-ylmethanol;
Glycerol,Iodinated;
Organidin;
Iodinated glycerol;
1,3-Dioxolane-4-methanol,2-(1-iodoethyl)
- CAS No.：
- 5634-39-9
- 分 子 式：
-
C6H11IO3
- 分 子 量：
- 258.05421
- 精确分子量：
- 257.97500
- PSA：
- 38.69000
- EINECS：
- 227-079-6
- InChI：
- The Key: LTINPJMVDKPJJI-UHFFFAOYSA-N3
- SDS：
- 查看
碘丙甘油 物化性质
- 密度：
- 1.794g/cm3
- 沸点：
- 294.9ºC at 760 mmHg
- 闪点：
- 132.1ºC
- 折射率：
- 1.545
碘丙甘油 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- JI1800000
- CHEMICAL NAME :
- 1,3-Dioxolane-4-methanol, 2-(1-iodoethyl)-
- CAS REGISTRY NUMBER :
- 5634-39-9
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C6-H11-I-O3
- MOLECULAR WEIGHT :
- 258.07
- WISWESSER LINE NOTATION :
- T5O COTJ BYI1 D1Q &T5O COTJ B2I D1Q
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6 gm/kg/16D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 32500 mg/kg/13W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
acute tubular necrosis)
Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32500 mg/kg/13W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
acute tubular necrosis)
Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 64375 mg/kg/2Y-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Endocrine - thyroid tumors
Blood - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 64375 mg/kg/2Y-C
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Sense Organs and Special Senses (Olfaction) - tumors
Endocrine - tumors
- TYPE OF TEST :
- Sister chromatid exchange
MUTATION DATA
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 167 mg/L
- REFERENCE :
- NTPTR* National Toxicology Program Technical Report Series. (Research
Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-340,1990
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOHS - National Occupational Hazard Survey (1974)
NOHS Hazard Code - 81848
No. of Facilities: 864 (estimated)
No. of Industries: 2
No. of Occupations: 2
No. of Employees: 1099 (estimated)
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - 81848
No. of Facilities: 85 (estimated)
No. of Industries: 2
No. of Occupations: 6
No. of Employees: 854 (estimated)
No. of Female Employees: 265 (estimated)
碘丙甘油 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:0.8
2.氢键供体数量:1
3.氢键受体数量:3
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积:38.7
7.重原子数量:10
8.表面电荷:0
9.复杂度:109
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:3
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