愈创木酚

外观与性状：

灰白色晶体

密度：

1.129 g/mL at 25 °C(lit.)

熔点：

26-29 °C(lit.)

沸点：

205 °C(lit.)

闪点：

180 °F

水溶解性：

17 g/L (15 ºC)

折射率：

n20/D 1.543(lit.)

蒸汽密度：

4.27 (vs air)

存储条件/存储方法：

1.闭光密闭包装。贮存于阴凉遮光处。

2.用铁桶包装，每桶净重200kg。按有毒物品规定贮运。

稳定性相关：

1.无色至淡黄色液体，具有焦甜的木质芳香。
易溶于乙醇及有机溶剂，微溶于水，含量99%以上。

2.有较强的苯酚特性和中等毒性。对皮肤有刺激性。大量服用能刺激食道和胃，使心力衰竭，虚脱而死亡。大鼠经口LD50:725mg/kg，皮下注射LD50:900mg/kg。其毒性及防护方法详见苯酚。
3. 存在于烤烟烟叶、白肋烟烟叶、香料烟烟叶、烟气中。

4. 天然存在于芸香油、芹菜子油、烟叶油、橙叶蒸馏液和海狸香中。

其它信息：

1.         性状：白色或微黄色结晶或无色至淡黄色透明油状液体(28℃以上时)，在空气中或日光照射下被氧化颜色逐渐加深。有苯酚的气味，同时具有烟熏、辛香、药香、肉香香气。

包装等级：

II

风险类别：

6.1(b)

海关代码：

2909500000

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R22;R36/38

安全说明：

S26

RTECS号：

SL7525000

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。

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

SL7525000

CHEMICAL NAME :

Phenol, o-methoxy-

CAS REGISTRY NUMBER :

90-05-1

LAST UPDATED :

199710

DATA ITEMS CITED :

23

MOLECULAR FORMULA :

C7-H8-O2

MOLECULAR WEIGHT :

124.15

WISWESSER LINE NOTATION :

QR BO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

43 mg/kg

TOXIC EFFECTS :

Behavioral - tremor Gastrointestinal - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

520 mg/kg

TOXIC EFFECTS :

Behavioral - general anesthetic

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

900 mg/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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

621 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

7570 mg/m3

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 :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

170 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

1500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

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 :

4600 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1250 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

3700 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

900 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Bird - pigeon

DOSE/DURATION :

400 mg/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 - rat

DOSE/DURATION :

21215 mg/kg/40D-I

TOXIC EFFECTS :

Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Human Lymphocyte

DOSE/DURATION :

500 umol/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,129,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2844 No. of Facilities: 55 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 1596 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2844 No. of Facilities: 34 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 2101 (estimated) No. of Female Employees: 297 (estimated)

毒理学数据：

误食引起急性中毒，表现为头痛、头晕、乏力、口腔粘膜呈蓝色，口内有金属味，齿龈，舌发青，腹泻，腹绞痛，黑大便，重者昏迷、痉挛，血压下降等。皮肤接触引起皮炎、溃疡等。

中国海关编码：2909500000

概述：

2909500000. 醚酚、醚醇酚及其卤化、磺化、硝化或亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构数据

分子性质数据：

1、   摩尔折射率：34.81

2、   摩尔体积（cm³/mol）：111.8

3、   等张比容（90.2K）：278.9

4、   表面张力（dyne/cm）：38.6

5、   极化率（10^-24cm³）：13.80

计算化学数据

1、   疏水参数计算参考值（XlogP）：1.3

2、   氢键供体数量：1

3、   氢键受体数量：2

4、   可旋转化学键数量：1

5、   互变异构体数量：3

 6、   拓扑分子极性表面积（TPSA）：29.5

7、   重原子数量：9

8、   表面电荷：0

9、   复杂度：83

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

 

 

• 
  天然愈创木酚质谱(MS)
• 
  天然愈创木酚核磁图(¹³CNMR)
• 
  天然愈创木酚核磁图(¹HNMR)
• 
  天然愈创木酚红外图谱(IR1)
• 
  天然愈创木酚红外图谱(IR2)
• 
  天然愈创木酚Raman光谱