丙基碳酸酯
- 中文名称:
- 丙基碳酸酯
- 中文别名:
- 丙基碳酸酯;
胺甲酸丙酯;
丙胺甲酸乙酯;
丙烏拉坦
- 英文名称:
- Carbamic acid, propylester
- 英文别名:
- Propyl carbamate;
Carbamic Acid Propyl Ester
- CAS No.:
- 627-12-3
- 分 子 式:
-
C4H9NO2
- 分 子 量:
- 103.14
- 精确分子量:
- 103.06300
- PSA:
- 52.32000
- EINECS:
- 210-984-5
- InChI:
- The Key: YNTOKMNHRPSGFU-UHFFFAOYSA-N3
- 风险术语:
- 22-36/37/38
- 安全术语:
- Moderately toxic by ingestion and subcutaneous routes. An experimental teratogen. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
- 分子结构式:
-
- SDS:
- 查看
丙基碳酸酯 物化性质
- 密度:
- 1.013g/cm3
- 熔点:
- 61-63ºC(lit.)
- 沸点:
- 92-93ºC/12 mmHg(lit.)
- 闪点:
- 95.6ºC
- 折射率:
- 1.422
丙基碳酸酯 安全信息
- 海关代码:
- 2924199090
- 危险类别码:
- 22-36/37/38
- 安全说明:
- 26-36
- 危险标志:
- Xn
丙基碳酸酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- FD0875000
- CHEMICAL NAME :
- Carbamic acid, propyl ester
- CAS REGISTRY NUMBER :
- 627-12-3
- BEILSTEIN REFERENCE NO. :
- 1743059
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C4-H9-N-O2
- MOLECULAR WEIGHT :
- 103.14
- WISWESSER LINE NOTATION :
- ZVO3
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 :
- 1877 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 - mouse
- DOSE/DURATION :
- 1300 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 650 mg/kg/13W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2400 mg/kg/4W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5700 mg/kg/10W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Blood - leukemia
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2850 mg/kg/5W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 248 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 495 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System
Reproductive - Specific Developmental Abnormalities - body wall
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Escherichia coli
- DOSE/DURATION :
- 2 pph/3H
- REFERENCE :
- AMNTA4 American Naturalist. (Univ. of Chicago Press, Journals Div., POB
37005, Chicago, IL 60637) V.1- 1867- Volume(issue)/page/year:
85,119,1951
*** REVIEWS ***
IARC Cancer Review:Animal Limited Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 12,201,1976
IARC Cancer Review:Human No Adequate Data
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 12,201,1976
IARC Cancer Review:Group 3
IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49
Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year:
7,56,1987
丙基碳酸酯 海关数据
中国海关编码:2924199090
- 概述:
- 2924199090. 其他无环酰胺(包括无环氨基甲酸酯)(包括其衍生物及盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
- 申报要素:
- 品名, 成分含量, 用途, 包装
- 摘要/Summary:
- 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
丙基碳酸酯 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):无
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:3
5.互变异构体数量:2
6.拓扑分子极性表面积:52.3
7.重原子数量:7
8.表面电荷:0
9.复杂度:62.7
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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