3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione 基本信息
CAS号 3048-76-8 分子式 C9H12O4
分子量 184.18900 精确质量 　184.07400
PSA 　52.60000 LogP 　0.64360
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等价的CAS号：

3048-76-8,126642-34-0,126642-35-1,126642-36-2
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
3048-76-8
3D弹球模型：
立即前往扯扯看
分子式：
C9H12O4
分子量：
184.18900
英文名称：
3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
英文别名：
3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione;
3,8-Dimethyl-2,7-dioxa-spiro[4.4]nonan-1,6-dion;
3,8-Dimethyl-2,7-dioxaspiro(4.4)nonane-1,6-dione;
2,7-DIOXASPIRO(4.4)NONANE-1,6-DIONE,3,8-DIMETHYL;
2,2'-Spirobi(4-pentanolid)
精确分子量/精确质量：
184.07400
极性分子表面积/PSA：
52.60000
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: QAMHNBFRAXJYEI-UHFFFAOYSA-N

物化性质展开↓

密度：
1.24g/cm3
沸点：
409.9ºC at 760 mmHg
闪点：
220.9ºC
折射率：
1.495

合成路线查看所有的合成路线

  • 5281-80-1

    3,8-bis(iodomethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione

  • →

    ~93%

  • 3048-76-8

    3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

  • 4372-31-0

    Propanedioic acid,2,2-di-2-propen-1-yl-

  • →

    ~90%

  • 3048-76-8

    3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

  • 41890-50-0

    di-tert-butyl diallylmalonate

  • →

    ~78%

  • 3048-76-8

    3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JH4010000
CHEMICAL NAME :
2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3,8-dimethyl-
CAS REGISTRY NUMBER :
3048-76-8
BEILSTEIN REFERENCE NO. :
0083942
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H12-O4
MOLECULAR WEIGHT :
184.21

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 :
>4 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 28,157,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3625 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 28,157,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>6 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 28,157,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3070 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 28,157,1976

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