3-pentadecylcatechol

3-pentadecylcatechol 基本信息
CAS号 492-89-7 分子式 C21H36O2
分子量 320.50900 精确质量  320.27200
PSA  40.46000 LogP  6.73150

基本信息 展开↓

CAS号:
492-89-7
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分子式:
C21H36O2
分子量:
320.50900
中文名称:
3-pentadecylcatechol
英文名称:
3-pentadecylcatechol
中文别名:
3-pentadecylcatechol
英文别名:
3-pentadecylcatechol;
Pyrocatechol,3-pentadecyl;
Hydrourushiol;
1,2-dihydroxy-3-pentadecylbenzene;
3-Pentadecacatechol;
Dihydrorhengol;
3-pentadecylbenzene-1,2-diol;
3-Pentadecyl-brenzcatechin;
3-pentadecyl-pyrocatechol;
3-n-Pentadecylpyrocatechol;
Hydroureshiol;
3-Pentadecylcatechol;
Tetrahydrourushiol;
3-PDCDihydrorhengol;
3-n-Pentadecylcatechol
精确分子量/精确质量:
320.27200
极性分子表面积/PSA:
40.46000
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: DQTMTQZSOJMZSF-UHFFFAOYSA-N

物化性质展开↓

密度:
0.96g/cm3
沸点:
445.6ºC at 760mmHg
闪点:
191.7ºC
折射率:
1.509
蒸汽压:
1.49E-08mmHg at 25°C

合成路线查看所有的合成路线

  • 102542-25-6

    1-(2,5-dimethoxy-tetrahydro-furan-2-yl)-heptadecan-1-one

  • ~87%

  • 492-89-7

    3-pentadecylcatechol

  • 7461-75-8

    1,2-dimethoxy-3-pentadecylbenzene

  • ~77%

  • 492-89-7

    3-pentadecylcatechol

  • 79688-37-2

    2-hydroxy-6-pentadecylbenzaldehyde

  • ~21%

  • 492-89-7

    3-pentadecylcatechol

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX2275000
CHEMICAL NAME :
Pyrocatechol, 3-pentadecyl-
CAS REGISTRY NUMBER :
492-89-7
BEILSTEIN REFERENCE NO. :
1885390
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H36-O2
MOLECULAR WEIGHT :
320.57
WISWESSER LINE NOTATION :
QR BQ C15

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 :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

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