丙烯醇

外观与性状：

透明液体,辛辣气味

密度：

0.854 g/mL at 25 °C(lit.)

熔点：

-129 °C

沸点：

96-98 °C(lit.)

闪点：

21°C

水溶解性：

MISCIBLE

折射率：

n20/D 1.412(lit.)

蒸汽压：

199mmHg at 25°C

蒸汽密度：

2 (vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂、酸类分开存放

稳定性相关：

1.避免受热和接触空气。避免与强氧化剂、碱金属、酸类接触。

其它信息：

1.       性状：无色液体，带有刺鼻催泪芥末样气味，刺激眼睛。

2.       沸点（ºC,101.3kPa）：95-97

3.       熔点（ºC）：-50

4.       相对密度（g/mL,20/4ºC）：0.8524

5.       相对密度（g/mL,25/4ºC）：0.8476

6.       相对蒸汽密度（g/mL,空气=1）：2.00

7.       折射率（n20ºC）：1.4135

8.       折射率（n25ºC）：1.4111

9.       折射率（30ºC）：1.4029

10.    黏度（mPa·s,15ºC）：1.486

11.    黏度（mPa·s,20ºC）：1.361

12.    黏度（mPa·s,30ºC）：1.072

13.    闪点（ºC,闭杯）：22

14.    闪点（ºC,开杯）：32

15.    燃点（ºC）：378

16.    蒸发热（KJ/kg）：39.99

17.    燃烧热（KJ/ kg）：1853.9

18.    比热容（KJ/(kg·K),20~95.5ºC,液体）：2.78

19.    相对蒸发速度（乙醚=1）：11

20.    临界温度（ºC）：271.9

21.    热导率（W/(m·K),20ºC）：0.1754

22.    蒸气压（kPa,20ºC）：2.31

23.    爆炸下限（%,V/V）：2.50

24.    爆炸上限（%,V/V）：18.0

25.   溶解性：能与水、乙醇、氯仿、乙醚及多种溶剂无限混溶，与水混合时体积缩小。40%烯丙醇与60%水组成的混合液体体积收缩到最小（为2.5%）。

26.   溶度参数(J·cm^-3)^0.5：24.795

27.   van der Waals面积（cm²·mol^-1）：5.750×10⁹

28.   van der Waals体积（cm³·mol^-1）：38.680

28.   气相标准燃烧热(焓)(kJ·mol^-1)：-1913.5

29.   气相标准声称热(焓)( kJ·mol^-1) ：-124.5

30.   液相标准燃烧热(焓)(kJ·mol^-1)：-1866.2

31.   液相标准声称热(焓)( kJ·mol^-1)：-171.8

32.   液相标准热熔(J·mol^-1·K^-1)：138.9

包装等级：

I

风险类别：

6.1

海关代码：

2906199090

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R10;R23/24/25;R36/37/38;R50

安全说明：

S36/37/39-S38-S45-S61

RTECS号：

BA5075000

安全标志：

S38:在通风不良的场所，佩戴合适的呼吸装置。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:

危险标志：

T:Toxic

CHEMICAL IDENTIFICATION

RTECS NUMBER :

BA5075000

CHEMICAL NAME :

Allyl alcohol

CAS REGISTRY NUMBER :

107-18-6

LAST UPDATED :

199712

DATA ITEMS CITED :

61

MOLECULAR FORMULA :

C3-H6-O

MOLECULAR WEIGHT :

58.09

WISWESSER LINE NOTATION :

Q2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Human

TYPE OF TEST :

Open irritation 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 :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

64 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 - rat

DOSE/DURATION :

76 ppm/8H

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - acute pulmonary edema

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

37 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 :

96 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - acute pulmonary edema Behavioral - ataxia

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

500 mg/m3/2H

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 :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

60 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - ataxia

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

78 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 :

Unreported

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

4270 ug/kg

TOXIC EFFECTS :

Behavioral - coma Gastrointestinal - nausea or vomiting Blood - other changes

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Primate - monkey

DOSE/DURATION :

1000 ppm/4H

TOXIC EFFECTS :

Gastrointestinal - hypermotility, diarrhea Blood - hemorrhage Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

71 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1000 ppm/3.5H

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - iritis Lungs, Thorax, or Respiration - dyspnea Blood - hemorrhage

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

45 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 :

100 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 :

Parenteral

SPECIES OBSERVED :

Amphibian - frog

DOSE/DURATION :

51 mg/kg

TOXIC EFFECTS :

Behavioral - excitement Gastrointestinal - nausea or vomiting

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

70 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 :

Mammal - species unspecified

DOSE/DURATION :

1 gm/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 :

Unreported

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

66 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 :

4200 mg/kg/15W-C

TOXIC EFFECTS :

Behavioral - food intake (animal) Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

60 ppm/7H/13W-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - changes in lung weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

MUTATION DATA

TYPE OF TEST :

Mutation in mammalian somatic cells

TEST SYSTEM :

Rodent - hamster Lung

REFERENCE :

CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 11,497,1990 *** REVIEWS *** ACGIH TLV-STEL 9.5 mg/m3 (4 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 4.8 mg/m3 (2 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 2 ppm (5 mg/m3) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,7,1971 OSHA PEL (Gen Indu):8H TWA 2 ppm (5 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 2 ppm (5 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 2 ppm (5 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 2 ppm (5 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-ARAB Republic of Egypt:TWA 2 ppm (5 mg/m3);Skin JAN 1993 OEL-AUSTRALIA:TWA 2 ppm (5 mg/m3);STEL 4 ppm (10 mg/m3);Skin JAN 1993 OEL-AUSTRIA:TWA 2 ppm (5 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 2 ppm (4.8 mg/m3);STEL 4 ppm (9.5 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 2 ppm (5 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 2 ppm (5 mg/m3);STEL 4 ppm (10 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 2 ppm (5 mg/m3);STEL 4 ppm (10 mg/m3);Skin JAN 1993 OEL-GERMANY:TWA 2 ppm (5 mg/m3);Skin JAN 1993 OEL-HUNGARY:TWA 3 mg/m3;STEL 6 mg/m3;Skin JAN 1993 OEL-JAPAN:TWA 1 ppm (2.4 mg/m3);Skin JAN 1993 OEL-THE NETHERLANDS:TWA 2 ppm (5 mg/m3);Skin JAN 1993 OEL-THE PHILIPPINES:TWA 2 ppm (5 mg/m3);Skin JAN 1993 OEL-POLAND:TWA 2 mg/m3;STEL 10 mg/m3;Skin JAN 1993 OEL-RUSSIA:TWA 1 ppm JAN 1993 OEL-SWEDEN:TWA 2 ppm (5 mg/m3);STEL 6 ppm (14 mg/m3);Skin JAN 1993 OEL-SWITZERLAND:TWA 2 ppm (5 mg/m3);STEL 4 ppm (10 mg/m3);Skin JAN 1993 OEL-TURKEY:TWA 2 ppm (5 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 2 ppm (6 mg/m3);STEL 4 ppm;Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ALLYL ALCOHOL-air:10H TWA 2 ppm (Sk);STEL 4 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 04370 No. of Facilities: 69 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 780 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 04370 No. of Facilities: 60 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 3246 (estimated) No. of Female Employees: 157 (estimated)

毒理学数据：

1、刺激性：人经眼：25ppm ，重度刺激。家兔经皮开放性刺激试验：10mg/24 小时，引起刺激。

2、急性毒性：大鼠经口LD50：99mg/kg；兔径皮LD50：75400mg/kg

                           大鼠吸入LC50：76ppm/8H

3、对眼、鼻黏膜有强烈刺激作用，并有较强的全身毒性，导致肝、肾损害和内脏出血，有害影响将在体内长期积累。尽量防止与液体接触。

生态数据：

1、生态毒理毒性：水中浓度19.5mg/L时，活性污泥对氨氮的硝化作用抑制75％。

2、生物降解性：接种生活污水沉降污泥20度，2.5ppm的烯丙醇可被降解 9.1％/5天，55.0％ /10天。

3、非生物降解性：可光降解。

4、生物富集或生物积累性：在水体中可被悬浮物和沉积物微弱吸附。在水体中可生物降解，大气中蒸气态时，可与羟基反应。

5、其他有害作用：空气中嗅觉阈浓度: 2.28ppm； 33.35ppm(觉察阈)。 水中嗅觉阈浓度: 水中浓度为 0.017mg/L时，有微臭。 BOD5(五天生化需氧量): 0.2g(氧)/g(样品)，1.66g(氧)/g(样品)。 COD(化学需氧量): 2.11g(氧)/g(样品)，2.10g(氧)/g(样品)。 ThOD: 2.2g(氧)/g(样品)

中国海关编码：2906199090

概述：

2906199090. 其他环烷醇，环烯醇及环萜烯醇. 增值税率:17.0%. 退税率:13.0%. 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：

2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构数据

1、   摩尔折射率：17.20

2、   摩尔体积（cm³/mol）：70.6

3、   等张比容（90.2K）：157.2

4、   表面张力（dyne/cm）：24.5

5、   介电常数：

6、   偶极距（10^-24cm³）：

7、   极化率：6.82

计算化学数据

1.疏水参数计算参考值（XlogP）:无

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:无

6.拓扑分子极性表面积20.2

7.重原子数量:4

8.表面电荷:0

9.复杂度:17.2

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

• 
  烯丙醇质谱(MS)
• 
  烯丙醇核磁图(¹³CNMR)
• 
  烯丙醇核磁图(¹HNMR)
• 
  烯丙醇Raman光谱
• 
  烯丙醇红外图谱(IR1)