梣酮; 3-(3-呋喃基)-3a,4,5,6-四氢-3a,7-二甲基苯酞

基本信息
物化性质
毒理性

梣酮; 3-(3-呋喃基)-3a,4,5,6-四氢-3a,7-二甲基苯酞基本信息

中文名称：: 梣酮; 3-(3-呋喃基)-3a,4,5,6-四氢-3a,7-二甲基苯酞

中文别名：: 梣酮;
酮

英文名称：: 1(3H)-Isobenzofuranone,3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R,3aR)-

英文别名：: FRAXINELLONE;
(3R,3aR)-3-(3-Furyl)-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one;
1(3H)-isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R,3aR)-;
(3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one;
fraxinellone;
methyl phenylmethanesulfonate;
Methyl toluenesulfonate;
O/P-Toluenesulfonic acid methyl ester;
methyl toluenesulphonate;
4,5,6,7-tetrahydrothieno [3,2-c]pyridine hcl;
4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride (1:1);
4,5,6,7-Terahydro-thieno(3,2-c) pyridine HCl;
4,5,6.7-Tetrahydro-thienol[3,2-c]pyridine HCl;
4,5,6,7-Tetrahydrothiophene[3,2-c]pyridine hydrochloride;
4,5,6,7-Tetrahydro-thieno[3,2-c]pyridine hydrochloride;
4,5,6,7-Tetrahydrothieno[3,2,c]pyridine hydrochloride

CAS No.：: 28808-62-0

分子式：: C₁₄H₁₆O₃

分子量：: 232.28

精确分子量：: 232.11000

PSA：: 39.44000

InChI：: InChI=1/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1

分子结构式：

SDS：: 查看

梣酮; 3-(3-呋喃基)-3a,4,5,6-四氢-3a,7-二甲基苯酞物化性质

密度：: 1.18 g/cm3
熔点：: 116ºC
沸点：: 372.9ºC at 760 mmHg
闪点：: 179.3ºC
折射率：: 1.552
蒸汽压：: 9.29E-06mmHg at 25°C

梣酮; 3-(3-呋喃基)-3a,4,5,6-四氢-3a,7-二甲基苯酞毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TI3767000

CHEMICAL NAME :: Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-

CAS REGISTRY NUMBER :: 28808-62-0

LAST UPDATED :: 198910

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C14-H16-O3

MOLECULAR WEIGHT :: 232.30

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 :: 274 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 116 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 430 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 355 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 424 mg/kg

SEX/DURATION :: female 5-8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :: PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,399,1987