1-乙炔基环戊醇

1-乙炔基环戊醇 基本信息
CAS号 17356-19-3 分子式 C7H10O
分子量 110.15400 精确质量  110.07300
PSA  20.23000 LogP  0.92470

基本信息 展开↓

CAS号:
17356-19-3
3D弹球模型:
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分子式:
C7H10O
分子量:
110.15400
中文名称:
1-乙炔基环戊醇
英文名称:
1-Ethynylcyclopentanol
中文别名:
1-乙炔基环戊醇;
1-乙炔环戊醇;
1-乙炔基-1-环戊醇
英文别名:
1-Ethynylcyclopentanol;
1-ethynylcyclopentan-1-ol
精确分子量/精确质量:
110.07300
极性分子表面积/PSA:
20.23000
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:
MFCD00001365
EINECS:
241-385-7
PubChem:
24847981
BRN:
1924167
InChI:
InChI=1/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2

物化性质展开↓

外观与性状:
透明无色至黄色液体在熔点后
密度:
0.962 g/mL at 25 °C(lit.)
熔点:
27 °C
沸点:
156-159 °C(lit.)
闪点:
120 °F
折射率:
n20/D 1.474(lit.)
蒸汽压:
1.1mmHg at 25°C
存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料:氧化物

其它信息:

1.       性状:不确定

2.       密度(g/mL,25/4℃):0.9698

3.       相对密度(20℃,4℃):0.9746

4.       熔点(ºC):26

5.       沸点(ºC,常压):157 ºC(lit.)

6.       常温折射率(n25):1.4725

7.       折射率:n20/D 1.4741(lit.)

8.       闪点(ºF):120

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

安全信息展开↓

包装等级:
III
风险类别:
3
海关代码:
2906199090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R10;R22;R36/37
安全说明:
S16-S26-S27-S36/37/39
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 120-92-3

    环戊酮

  • +

  • 74-86-2

    乙炔

  • ~99%

  • 17356-19-3

    1-乙炔基环戊醇

  • 4301-15-9

    acetylene-bis-magnesium bromide

  • +

  • 60-29-7

    乙醚

  • +

  • 120-92-3

    环戊酮

  • 17356-19-3

    1-乙炔基环戊醇

  • +

  • 5325-62-2

    1-[2-(1-hydroxycyclopentyl)ethynyl]cyclopentan-1-ol

  • 120-92-3

    环戊酮

  • +

  • 70277-75-7

    lithium acetylide-ethylenediamine complex

  • 17356-19-3

    1-乙炔基环戊醇

化学图谱

  1. 1-乙炔基环戊醇红外图谱(IR1)

  2. 1-乙炔基环戊醇质谱(MS)

  3. 1-乙炔基环戊醇核磁图(13CNMR)

  4. 1-乙炔基环戊醇核磁图(1HNMR)

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毒理性展开↓

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Name: 1-Ethynylcyclopentanol 98% Material Safety Data Sheet
Synonym:
CAS: 17356-19-3
Section 1 - Chemical Product   MSDS Name:1-Ethynylcyclopentanol 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17356-19-3 1-Ethynylcyclopentanol, 98% 98% 241-385-7
Hazard Symbols: XN
Risk Phrases: 10 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Harmful if swallowed. Irritating to eyes, respiratory system and skin.Harmful.Flammable liquid.
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears). Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause severe gastrointestinal tract irritation with nausea, vomiting and possible burns.
Inhalation:
Causes respiratory tract irritation. May cause abdominal pain, nausea, vomiting, and inflammation of the gums and mouth. May cause chemical bronchitis with coughing and difficulty in breathing.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately.
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:
Use spark-proof tools and explosion proof equipment. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 17356-19-3: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 156 - 159 deg C @ 760.00mm Hg
Freezing/Melting Point: 27 deg C
Autoignition Temperature: Not available.
Flash Point: 48 deg C ( 118.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9620g/cm3
Molecular Formula: C7H10O
Molecular Weight: 110.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong acids - strong oxidizing agents - acid chlorides - strong reducing agents - acid anhydrides.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 17356-19-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Ethynylcyclopentanol, 98% - 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
Shipping Name: ALCOHOLS, FLAMMABLE, TOXIC, N.O.S.*
Hazard Class: 3 (6.1)
UN Number: 1986
Packing Group: III
IMO
Shipping Name: ALCOHOLS, TOXIC, N.O.S.
Hazard Class: 3.3 (6.1)
UN Number: 1986
Packing Group: III
RID/ADR
Shipping Name: ALCOHOLS, FLAMMABLE, TOXIC, N.O.S.
Hazard Class: 3
UN Number: 1986
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 10 Flammable.
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 17356-19-3: No information available.
Canada
CAS# 17356-19-3 is listed on Canada's NDSL List.
CAS# 17356-19-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17356-19-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:31.75

2、   摩尔体积(cm3/mol):108.3

3、   等张比容(90.2K):273.4

4、   表面张力(dyne/cm):40.5

5、   极化率(10-24cm3):12.58

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:8

8.表面电荷:0

9.复杂度:123

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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