海关代码：

29072900

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R36

安全说明：

S26-S36

RTECS号：

PA3500000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。

危险标志：

Xi:Irritant

CHEMICAL IDENTIFICATION

RTECS NUMBER :

PA3500000

CHEMICAL NAME :

Methane, 2,2'-bis(6-t-butyl-p-cresyl)-

CAS REGISTRY NUMBER :

119-47-1

BEILSTEIN REFERENCE NO. :

2062676

LAST UPDATED :

199710

DATA ITEMS CITED :

10

MOLECULAR FORMULA :

C23-H32-O2

MOLECULAR WEIGHT :

340.55

WISWESSER LINE NOTATION :

1X1&1&R BQ C3R BQ CX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,240,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

10 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 38(8),28,1973

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

11 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 19,77,1994 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1623 mg/kg/1W-C

TOXIC EFFECTS :

Liver - other changes Blood - changes in other cell count (unspecified) Biochemical - Metabolism (Intermediary) - lipids including transport

REFERENCE :

TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 8,77,1981

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

25200 mg/kg/12W-C

TOXIC EFFECTS :

Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Metabolism (Intermediary) - lipids including transport

REFERENCE :

JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 19,77,1994

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

23096 mg/kg/78W-C

TOXIC EFFECTS :

Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight

REFERENCE :

JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 19,77,1994 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82995 No. of Facilities: 275 (estimated) No. of Industries: 6 No. of Occupations: 23 No. of Employees: 5131 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82995 No. of Facilities: 6941 (estimated) No. of Industries: 70 No. of Occupations: 72 No. of Employees: 150745 (estimated) No. of Female Employees: 36237 (estimated)

毒理学数据：

1、刺激性：兔子经眼标准德雷兹染眼实验：100mg/24H   中度刺激。

2、急性毒性：大鼠经口LD50：10g/kg；小鼠经口LD50：11g/kg             

3、其他多剂量毒性：大鼠经口TDLO：1623mg/kg/1W-C

生态数据：

该物质对水有一定的污染。

分子结构数据

1、   摩尔折射率：105.75

2、   摩尔体积（cm³/mol）：331.6

3、   等张比容（90.2K）：819.7

4、   表面张力（dyne/cm）：37.3

5、   极化率（10^-24cm³）：41.92

计算化学数据

1.疏水参数计算参考值（XlogP）:7.2

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:5

6.拓扑分子极性表面积40.5

7.重原子数量:25

8.表面电荷:0

9.复杂度:390

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:0

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

• 
  2
• 
  2'-亚甲基双(6-叔丁基-4-甲基苯酚)红外图谱(IR1)
• 
  2
• 
  2'-亚甲基双(6-叔丁基-4-甲基苯酚)红外图谱(IR2)
• 
  2