丙基碳酸酯

丙基碳酸酯 基本信息
CAS号 627-12-3 分子式 C4H9NO2
分子量 103.12000 精确质量  103.06300
PSA  52.32000 LogP  1.19200

基本信息 展开↓

CAS号:
627-12-3
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分子式:
C4H9NO2
分子量:
103.12000
中文名称:
丙基碳酸酯
英文名称:
Propyl carbamate
中文别名:
丙基碳酸酯;
胺甲酸丙酯;
丙胺甲酸乙酯;
丙烏拉坦
英文别名:
Propyl carbamate;
Carbamic Acid Propyl Ester
精确分子量/精确质量:
103.06300
极性分子表面积/PSA:
52.32000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
210-984-5
InChI:
The Key: YNTOKMNHRPSGFU-UHFFFAOYSA-N

物化性质展开↓

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

安全信息展开↓

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

合成路线查看所有的合成路线

  • 71-23-8

    丙醇

  • +

  • 2158-03-4

    1-氨基甲酰基哌啶

  • +

  • 88-89-1

    苦味酸

  • ~88%

  • 627-12-3

    丙基碳酸酯

  • +

  • 6091-49-2

    ethyl 2-[(1-acetylindol-3-yl)amino]benzoate

  • 71-23-8

    丙醇

  • +

  • 917-61-3

    氰酸钠

  • ~83%

  • 627-12-3

    丙基碳酸酯

  • 71-23-8

    丙醇

  • +

  • 57-13-6

    尿素

  • ~18%

  • 627-12-3

    丙基碳酸酯

  • +

  • 623-96-1

    碳酸二丙酯(DPC)

毒理性展开↓

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

海关数据查看详细

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%

分子结构与计算化学数据展开↓

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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