4-Octylbenzene-1,3-Diol 4-辛基苯-1,3-二醇

CAS 6565-70-4 MFCD01684758

化学结构图

6565-70-4
SMILES: CCCCCCCCc1ccc(O)cc1O

化学属性

Mol. FormulaC14H22O2
Mol. Weight222.32
Melting Point65-70 °C
Boiling Point185-188 °C at 5 mmHg

别名和识别编码

Chemical Name4-Octylbenzene-1,3-Diol
Wiswesser Line NotationQR CQ X8
Synonym 4-Octylbenzene-1,3-diol {LY} 4-Octylbenzene-1,3-diol {} {LY} 4-Octylbenzene-1,3-diol {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Octylbenzene-1,3-diol
CAS Number6565-70-4
Beilstein Registry Number2558780
LabNetwork Molecule IDLN01750583
MDL NumberMFCD01684758
Chemical Name Translation4-辛基苯-1,3-二醇
Canonical SMILESOC1=CC=C(CCCCCCCC)C(O)=C1
PubChem Substance ID201683
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-12-9-10-13(15)11-14(12)16/h9-11,15-16H,2-8H2,1H3
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安全信息

RTECSVH2840000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 913 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   49,124,1953

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 28,609,1931

Storage condition

系列性分类

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