(E,E)-2,4-Hexendial

(E,E)-2,4-Hexendial 基本信息
CAS号 18409-46-6 分子式 C6H6O2
分子量 110.11100 精确质量  110.03700
PSA  34.14000 LogP  0.49660

基本信息 展开↓

CAS号:
18409-46-6
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分子式:
C6H6O2
分子量:
110.11100
英文名称:
(E,E)-2,4-Hexendial
英文别名:
(E,E)-2,4-Hexendial;
trans,trans-hexa-2,4-dienedial;
E,E-2,4-Hexadienedial;
E,E-2,4-hexadiemedial;
Hexa-2,4-diendial;
(E,E)-muconaldehyde;
trans,trans-Muconaldehyde;
(E,E)-2,4-hexadiendial;
T,T-MUCONALDEHYDE
精确分子量/精确质量:
110.03700
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: NDCAAPXLWRAESY-ZPUQHVIOSA-N

物化性质展开↓

密度:
1.006g/cm3
沸点:
232.8ºC at 760mmHg
闪点:
84.8ºC
折射率:
1.466
蒸汽压:
0.0577mmHg at 25°C

合成路线查看所有的合成路线

  • 64330-65-0

    (2Z,4Z)-hexa-2,4-dienedial

  • ~53%

  • 18409-46-6

    (E,E)-2,4-Hexendial

  • 98-88-4

    苯甲酰氯

  • +

  • 81925-30-6

    3-tributylstannylprop-2-enal

  • ~32%

  • 18409-46-6

    (E,E)-2,4-Hexendial

  • +

  • 127921-80-6

    4-oxo-4-phenylbut-2-enal

  • 2955-79-5

    ethyl azepine-1-carboxylate

  • ~30%

  • 18409-46-6

    (E,E)-2,4-Hexendial

  • +

  • 51-79-6

    氨基甲酸乙酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MM2020000
CHEMICAL NAME :
2,4-Hexadienedial, (E,E)-
CAS REGISTRY NUMBER :
18409-46-6
LAST UPDATED :
199503
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C6-H6-O2
MOLECULAR WEIGHT :
110.12

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6700 ug/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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg/16D-I
TOXIC EFFECTS :
Blood - normocytic anemia Blood - changes in bone marrow (not otherwise specified) Blood - changes in leukocyte (WBC) count
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg/10D-I
TOXIC EFFECTS :
Liver - other changes Blood - changes in bone marrow (not otherwise specified) Blood - changes in other cell count (unspecified)
TYPE OF TEST :
Sister chromatid exchange

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
2 umol/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 24,112,1994

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