海关代码：

29061400

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R38

安全说明：

S37

RTECS号：

WZ6700000

安全标志：

S16:远离火源。
S37:使用合适的防护手套。

危险标志：

Xi:Irritant;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

WZ6700000

CHEMICAL NAME :

alpha-Terpineol

CAS REGISTRY NUMBER :

98-55-5

BEILSTEIN REFERENCE NO. :

1906604

LAST UPDATED :

199806

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C10-H18-O

MOLECULAR WEIGHT :

154.28

WISWESSER LINE NOTATION :

L6UTJ A1 DXQ1&1

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 :

5170 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(2),29,1987

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2830 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 33,1669,1985

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intramuscular

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JSICAZ Journal of Scientific and Industrial Research, Section C: Biological Sciences. (New Delhi, India) V.14-21, 1955-62. For publisher information, see IJEBA6. Volume(issue)/page/year: 21,342,1962 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

7755 mg/kg/30D-I

TOXIC EFFECTS :

Brain and Coverings - other degenerative changes Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(2),29,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80268 No. of Facilities: 2241 (estimated) No. of Industries: 37 No. of Occupations: 47 No. of Employees: 16136 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80268 No. of Facilities: 20420 (estimated) No. of Industries: 125 No. of Occupations: 102 No. of Employees: 328085 (estimated) No. of Female Employees: 125759 (estimated)

毒理学数据：

1、急性毒性：大鼠经口LD50：5170mg/kg；

生态数据：

该物质对水有稍微的危害。

分子结构数据

1、   摩尔折射率：47.07

2、   摩尔体积（cm³/mol）：164.9

3、   等张比容（90.2K）：396.0

4、   表面张力（dyne/cm）：33.2

5、   介电常数：

6、   偶极距（10^-24cm³）：

7、 极化率：18.66

计算化学数据

1、   疏水参数计算参考值（XlogP）：1.8

2、   氢键供体数量：1

3、   氢键受体数量：1

4、   可旋转化学键数量：1

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：20.2

7、   重原子数量：11

8、   表面电荷：0

9、   复杂度：168

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：1

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

• 
  α-松油醇质谱(MS)
• 
  α-松油醇核磁图(¹³CNMR)
• 
  α-松油醇红外图谱(IR1)
• 
  α-松油醇Raman光谱