3-苯氧基-1-丙醇

3-苯氧基-1-丙醇 基本信息
CAS号 6180-61-6 分子式 C9H12O2
分子量 152.19000 精确质量  152.08400
PSA  29.46000 LogP  1.44780

基本信息 展开↓

CAS号:
6180-61-6
3D弹球模型:
立即前往扯扯看
分子式:
C9H12O2
分子量:
152.19000
中文名称:
3-苯氧基-1-丙醇
英文名称:
3-Phenoxy-1-propanol
中文别名:
3-苯氧基-1-丙醇;
丙二醇苯醚
英文别名:
3-Phenoxy-1-propanol;
Propanediol phenyl ether;
epoxy-3-phenoxy-propane;
3-phenoxy-l-propanol;
1,3-Propylene glycol phenyl ether;
3-phenoxy-propanol;
3-benzyloxypropanol;
3-phenyloxy-1-propanol;
3-phenyloxypropanol;
3-Phenoxypropan-1-ol
精确分子量/精确质量:
152.08400
极性分子表面积/PSA:
29.46000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00039549
EINECS:
228-228-8
InChI:
InChI=1/C9H12O2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

物化性质展开↓

密度:
1.04
沸点:
83-85 °C
闪点:
105.1ºC
折射率:
1.528-1.53
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与不相容材料接触。
与强氧化剂反应。

其它信息:

1.      性状:无色透明液体

2.      密度(g/mL,25):1.04

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):83-85

6.      沸点(ºC39mmHg):未确定

7.      折射率(n20/D)1.528-1.53

8.      闪点(ºF):>112

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

海关代码:
2909499000
危险类别码:
R22;R36/37/38
安全说明:
S24/25-S37/39-S26
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。
S24/25:防止皮肤和眼睛接触。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 1315481-32-3

    1315481-32-3

  • ~97%

  • 6180-61-6

    3-苯氧基-1-丙醇

  • 504-63-2

    1,3-丙二醇

  • +

  • 108-95-2

    苯酚

  • ~96%

  • 6180-61-6

    3-苯氧基-1-丙醇

  • 122-60-1

    苯基缩水甘油醚

  • ~91%

  • 6180-61-6

    3-苯氧基-1-丙醇

毒理性展开↓

生态数据:

对环境有危害,对水体有污染,禁止进入水体。

MSDS 展开↓

Name: 3-Phenoxy-1-propanol 97% Material Safety Data Sheet
Synonym: 1-Phenoxypropan-2-ol;propylenephenoxytho
CAS: 6180-61-6
Section 1 - Chemical Product   MSDS Name:3-Phenoxy-1-propanol 97% Material Safety Data Sheet
Synonym:1-Phenoxypropan-2-ol;propylenephenoxytho

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6180-61-6 3-henoxy-1-propanol 97 228-228-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
None

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid if irritation develops or persists. Flush skin with plenty of soap and water.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6180-61-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: Clear
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 83 - 85 deg C @ .05mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0450g/cm3
Molecular Formula: C9H12O2
Molecular Weight: 152.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Stability unknown.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6180-61-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-henoxy-1-propanol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 6180-61-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6180-61-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6180-61-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2909499000

概述:
2909499000 其他醚醇及其卤化、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:
2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、摩尔折射率:43.73

2、摩尔体积(m3/mol):143.9

3、等张比容(90.2K):360.2

4、表面张力(dyne/cm):39.2

5、极化率(10-24cm3):17.33

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:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积29.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:87.6

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

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