丙二醛

丙二醛 基本信息
CAS号 542-78-9 分子式 C3H4O2
分子量 72.06270 精确质量 　72.02110
PSA 　34.14000 LogP 　-0.22570
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
542-78-9
3D弹球模型：
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分子式：
C3H4O2
分子量：
72.06270
中文名称：
丙二醛
英文名称：
malonaldehyde
中文别名：
丙二醛
英文别名：
malonaldehyde;
MALONALDEHYDE;
malondialdehyde;
1,3-Propanedialdehyde;
Malonodialdehyde;
Malonic dialdehyde;
Malonyldialdehyde;
1,3-Propanedial;
Malonic aldehyde;
1,3-Propanedione;
propanedial
精确分子量/精确质量：
72.02110
极性分子表面积/PSA：
34.14000
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。
InChI：
The Key: WSMYVTOQOOLQHP-UHFFFAOYSA-N

物化性质展开↓

密度：
0.991g/cm3
沸点：
108.3ºC at 760mmHg
闪点：
28.9ºC
折射率：
1.366

安全信息展开↓

海关代码：
2912190090

合成路线查看所有的合成路线

  • 63942-75-6

    methyl (Z)-7-[(1R,4S,5R,6R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoate

  • →

    ~40%

  • 542-78-9

    丙二醛

  • +

  • 79171-56-5

    (5Z,8E,10E,12S)-12-hydroxy-5,8,10-heptadecatrienoic acid methyl ester

  • 113331-81-0

    (1R*,4R*,5S*)-5-phenyl-2,3-dioxabicyclo[2.2.1]heptane

  • →

    ~38%

  • 292638-84-7

    (phenyl)ethylene

  • +

  • 542-78-9

    丙二醛

  • +

  • 113331-87-6

    (3RS,4SR)-3-hydroxy-4-phenyl-1-cyclopentanone

  • +

  • 113331-88-7

    (3SR,4SR)-4,5-epoxy-3-phenyl-1-pentanal

  • +

  • 113331-85-4

    (1R*,3R*,4S*)-4-phenylcyclopentane-1,3-diol

  • +

  • 113331-86-5

    (2ξ,4RS,6RS)-6-phenyltetrahydropyran-2,4-diol

  • 279-35-6

    2,3-dioxabicyclo[2.2.1]heptane

  • →

    ~15%

  • 542-78-9

    丙二醛

  • +

  • 65842-25-3

    3-(oxiran-2-yl)propanal

  • +

  • 54509-73-8

    ethene

  • +

  • 16326-97-9

    1,3-Cyclopentanediol,(1R,3S)-rel-

  • +

  • 26831-63-0

    Cyclopentanone, 3-hydroxy-

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TX6475000
CHEMICAL NAME :
Propanedial
CAS REGISTRY NUMBER :
542-78-9
BEILSTEIN REFERENCE NO. :
1209262
LAST UPDATED :
199612
DATA ITEMS CITED :
24
MOLECULAR FORMULA :
C3-H4-O2
MOLECULAR WEIGHT :
72.07
WISWESSER LINE NOTATION :
VH1VH

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 :
632 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
606 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7488 mg/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 gm/kg/9W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :
DNA adduct
TEST SYSTEM :
Mammal - species unspecified Lymphocyte
REFERENCE :
EJBCAI European Journal of Biochemistry. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1967- Volume(issue)/page/year: 5,178,1968 *** REVIEWS *** IARC Cancer Review:Animal Inadequate 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: 36,163,1985 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: 36,163,1985 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO MALONALDEHYDE-air:CA lowest feasible concentration REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992

海关数据查看详细

中国海关编码：2912190090

概述：
HS: 2912190090. 其他无环醛（不含其他含氧基）. 增值税率:17.0%. 退税率:9.0%. 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, 四聚甲醛报明外观
摘要/Summary：
2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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