(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl 3-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate

(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl 3-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate 基本信息
CAS号 141-37-7 分子式 C16H24O4
分子量 280.35900 精确质量  280.16700
PSA  51.36000 LogP  2.15660

基本信息 展开↓

CAS号:
141-37-7
3D弹球模型:
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分子式:
C16H24O4
分子量:
280.35900
英文名称:
(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl 3-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate
英文别名:
(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl 3-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate;
Unox epoxide 201;
CCRIS 279;
Chissonox 201;
4,5-epoxy-2-methyl-cyclohexanecarboxylic acid-(4,5-epoxy-2-methyl-cyclohexylmethyl ester);
4,5-Epoxy-2-methyl-cyclohexancarbonsaeure-(4,5-epoxy-2-methyl-cyclohexylmethylester);
Unox 201;
EP 201;
Epoxide-201
精确分子量/精确质量:
280.16700
极性分子表面积/PSA:
51.36000
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: GRWFFFOEIHGUBG-UHFFFAOYSA-N

物化性质展开↓

密度:
1.139g/cm3
沸点:
376.2ºC at 760mmHg
闪点:
164.4ºC
折射率:
1.505
蒸汽压:
7.36E-06mmHg at 25°C

合成路线查看所有的合成路线

  • 89-94-1

    6-甲基环己基-3-甲醛

  • 141-37-7

    (3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl 3-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate

  • 101271-54-9

    3-Cyclohexene-1-carboxylic acid, 6-methyl-,(6-methyl-3-cyclohexen-1-yl)methyl ester

  • 141-37-7

    (3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl 3-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RN7700000
CHEMICAL NAME :
7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, (4-methyl-7-oxabicyclo(4.1.0) hept-3-yl)methyl ester
CAS REGISTRY NUMBER :
141-37-7
BEILSTEIN REFERENCE NO. :
0246264
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C16-H24-O4
MOLECULAR WEIGHT :
280.40
WISWESSER LINE NOTATION :
T36 BOTJ F1 EVO1- ET36 BOTJ F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4920 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 6/8/1965
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>10 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 6/8/1965 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
67 gm/kg/56W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
REFERENCE :
JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 39,1217,1967
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
516 gm/kg/43W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 24,305,1963 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 11,147,1976 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 11,147,1976 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

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