2-羟基-5-异丙基-2,4,6-环庚三烯-1-酮

2-羟基-5-异丙基-2,4,6-环庚三烯-1-酮 基本信息
CAS号 672-76-4 分子式 C10H12O2
分子量 164.20100 精确质量  164.08400
PSA  37.30000 LogP  1.87580

基本信息 展开↓

CAS号:
672-76-4
3D弹球模型:
立即前往扯扯看
分子式:
C10H12O2
分子量:
164.20100
中文名称:
2-羟基-5-异丙基-2,4,6-环庚三烯-1-酮
英文名称:
2-hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
中文别名:
2-羟基-5-异丙基-2,4,6-环庚三烯-1-酮
英文别名:
2-hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one;
5-Isopropyl-tropolon;
5-isopropyl-tropolone
精确分子量/精确质量:
164.08400
极性分子表面积/PSA:
37.30000
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: WKEWHSLZDDZONF-UHFFFAOYSA-N

物化性质展开↓

密度:
1.127g/cm3
沸点:
303.4ºC at 760 mmHg
闪点:
128.1ºC
折射率:
1.553

安全信息展开↓

海关代码:
2914400090

合成路线查看所有的合成路线

  • 310905-98-7

    3-Cycloheptene-1,2-dione,5-(1-methylethyl)-,(5S)-(9CI)

  • ~73%

  • 672-76-4

    2-羟基-5-异丙基-2,4,6-环庚三烯-1-酮

  • 79-36-7

    二氯乙酰氯

  • +

  • 2175-91-9

    6,6-二甲基-5-亚甲基-1,3-环戊二烯

  • 672-76-4

    2-羟基-5-异丙基-2,4,6-环庚三烯-1-酮

  • 103861-59-2

    5-isopropyl-2-methylamino-cycloheptatrienone

  • 672-76-4

    2-羟基-5-异丙基-2,4,6-环庚三烯-1-酮

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4580000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-
CAS REGISTRY NUMBER :
672-76-4
BEILSTEIN REFERENCE NO. :
2044323
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22
WISWESSER LINE NOTATION :
L7VJ BQ EY1&1

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 :
162 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959

海关数据查看详细

中国海关编码:2914400090

概述:
2914400090 其他酮醇及酮醛。监管条件:无。增值税率:17.0%。退税率:9.0%。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, 丙酮报明包装
摘要/Summary:
2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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