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120-62-7

120-62-7结构式
120-62-7结构式

化源商城直购

中文名 增效砜
英文名 sulfoxide
中文别名 5-[2-(辛基亚磺酰)丙基]-1,3-苯并二氧杂环戊烷
亚砜
英文别名 Sulfox-cide
5-(2-octylsulfinylpropyl)-1,3-benzodioxole
Isosafrole,octyl sulfoxide
Sulphoxide
PIPERONYL SULFOXIDE
Sulfoxide
5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole
Sulfocide
rac-5-[(2R)-2-(octane-1-sulfinyl)propyl]-2H-1,3-benzodioxole
Sulfoxyl
EINECS 204-412-3
密度 1.06~1.09(20ºC)
沸点 485.2ºC at 760 mmHg
分子式 C18H28O3S
分子量 324.47800
闪点 247.3ºC
精确质量 324.17600
PSA 54.74000
LogP 5.32120
外观性状 淡黄色粘性油状
蒸汽压 4.24E-09mmHg at 25°C
折射率 1.546
储存条件 库房通风低温干燥,与食品原料分开储运
稳定性 Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with perchloric acid.
分子结构

五、分子性质数据:

1、 摩尔折射率:92.48

2、 摩尔体积(m3/mol):291.8

3、 等张比容(90.2K):765.6

4、 表面张力(dyne/cm):47.3

5、 介电常数:

6、 偶极距(10 -24cm 3):

7、 极化率:36.66

计算化学

1.疏水参数计算参考值(XlogP):4.8

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积54.7

7.重原子数量:22

8.表面电荷:0

9.复杂度:334

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:2

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

毒理学数据:

1、急性毒性:大鼠经口LD50: 2g /kg;兔子经皮下LD50: 9g /kg

2、致肿瘤:小鼠经口TDLO: 31g /kg/2Y-C

3、生殖毒性:小鼠(母)经皮下TDLO:90mg/kg/6-14D

4、致突变毒性:小鼠淋巴细胞突变:2500ug/L

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA5775000
CHEMICAL NAME :
Benzene, 1,2-(methylenedioxy)-4-(2-(octylsulfinyl)propyl)-
CAS REGISTRY NUMBER :
120-62-7
LAST UPDATED :
199707
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C18-H28-O3-S
MOLECULAR WEIGHT :
324.52
WISWESSER LINE NOTATION :
T56 BO DO CHJ G1Y1&SO&8

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 :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
9 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
31 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
62 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
90 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
2500 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 196,61,1988 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989

危害码 (欧洲) F;T;N
安全声明 (欧洲) S24/25
海关编码 2932999014
海关编码 2932999014
中文概述 2932999014 增效特,增效砜,增效醚,增效酯等〔包括增效环,增效散〕。监管条件:无。增值税率:17.0%。退税率:13.0%。最低关税:6.5%。普通关税:20.0%
申报要素 品名, 成分含量, 用途
Summary 2932999014 5-(benzo[d][1,3]dioxol-5-yl)-3-hexylcyclohex-2-enone。Supervision conditions:None。VAT:17.0%。Tax rebate rate:13.0%。Lowest tariff:6.5%。General tariff:20.0%