庚酸甲酯

庚酸甲酯 基本信息
CAS号 106-73-0 分子式 C8H16O2
分子量 144.21100 精确质量 　144.11500
PSA 　26.30000 LogP 　2.12980
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
106-73-0
3D弹球模型：
立即前往扯扯看
分子式：
C8H16O2
分子量：
144.21100
中文名称：
庚酸甲酯
英文名称：
Methyl heptanoate
中文别名：
庚酸甲酯;
甲基庚酸;
甲基庚酸酯
英文别名：
Methyl heptanoate;
Methyl heptylate (natural);
Methyl oenanthylate;
Methyl n-heptylate;
methyl 3-(R)-(n-butyl)-propionate;
Heptanoic acid methyl ester;
n-heptanoic acid methyl ester;
Methyl heptylate;
Methyl enanthate;
hexane-1-carboxylic acid methyl ester;
Methyl Heptanoate;
Methyl heptoate
精确分子量/精确质量：
144.11500
极性分子表面积/PSA：
26.30000
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。
EINECS：
203-428-8
InChI：
InChI=1/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3

生产制备方法及用途展开↓

制备方法

用作溶剂、香料、有机合成中间体。

用途简介

用途

用作溶剂、香料、有机合成中间体。

物化性质展开↓

密度：
0.87 g/mL at 25 °C(lit.)
沸点：
172-173 °C(lit.)
闪点：
127 °F
折射率：
n20/D 1.411(lit.)
蒸汽压：
1.43mmHg at 25°C
稳定性相关：

易燃，遇明火、高热易引起燃烧，与氧化剂可发生反应。

其它信息：

1.      性状：无色液体、有香味。

2.      相对密度（g/mL,20/4℃）：0.8815

3.      相对密度（25℃，4℃）：0.871230

4.      熔点（ºC）：-56

5.      沸点（ºC,常压）：172

6.      沸点（ºC, mmHg）：未确定

7.      折射率（20ºC）：1.4152

8.      闪点（ºC）：52

9.      气相标准燃烧热(焓)(kJ·mol-1)：-4919.25

10.   气相标准声称热(焓)( kJ·mol-1) ：-515.47

11.   液相标准燃烧热(焓)(kJ·mol-1)：-4867.62

12.   液相标准声称热(焓)( kJ·mol-1)：-567.10

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：354.85

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：与乙醇、乙醚、苯、氯仿混溶，微溶于水。

安全信息展开↓

包装等级：
III
风险类别：
3.2
海关代码：
2915900090
WGK_Germany：
2
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S16-S26-S36
RTECS号：
MJ2297500
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。
S36:穿戴合适的防护服装。
危险标志：
Xi:Irritant;

合成路线查看所有的合成路线

  • 56196-51-1

    2-Acetoxyheptanoic acid methyl ester

  • →

    ~97%

  • 106-73-0

    庚酸甲酯

  • 67-56-1

    甲醇

  • +

  • 111-14-8

    庚酸

  • →

    ~97%

  • 106-73-0

    庚酸甲酯

  • 10032-05-0

    庚醛二甲基缩醛

  • →

    ~91%

  • 106-73-0

    庚酸甲酯

化学图谱

  1. 庚酸甲酯质谱(MS)

  2. 庚酸甲酯核磁图(13CNMR)

  3. 庚酸甲酯核磁图(1HNMR)

  4. 庚酸甲酯红外图谱(IR1)

  5. 庚酸甲酯红外图谱(IR2)

  6. 庚酸甲酯Raman光谱

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ2297500
CHEMICAL NAME :
Heptanoic acid, methyl ester
CAS REGISTRY NUMBER :
106-73-0
BEILSTEIN REFERENCE NO. :
1747147
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H16-O2

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 :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,381,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,381,1988
毒理学数据：

1、急性毒性：大鼠经口LD50：＞5mg/kg；兔子经皮肤接触LD50：＞5mg/kg；

MSDS 展开↓

Name: Methyl Enanthate 99% Material Safety Data Sheet
Synonym: Heptanoic Acid, Methyl Ester; Methyl Heptanoate
CAS: 106-73-0
Section 1 - Chemical Product   MSDS Name:Methyl Enanthate 99% Material Safety Data Sheet
Synonym:Heptanoic Acid, Methyl Ester; Methyl Heptanoate
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
106-73-0 Methyl Enanthate 99% 203-428-8
Hazard Symbols: None Listed.
Risk Phrases: 10
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause skin irritation. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression. May cause cardiac arrhythmias, hypotension, and albuminuria.
Inhalation:
May cause respiratory tract irritation. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation. May cause burning sensation in the chest.
Chronic:
Effects may be delayed.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 106-73-0: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 172 -173.4 deg C @ 760.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 52 deg C ( 125.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8700g/cm3
Molecular Formula: C8H16O2
Molecular Weight: 144.21
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 106-73-0: MJ2297500 LD50/LC50:
CAS# 106-73-0: Oral, rat: LD50 = >5 gm/kg; Skin, rabbit: LD50 = >5 gm/kg.
Carcinogenicity:
Methyl Enanthate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: II
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.2
UN Number: 1993
Packing Group: II
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 33 Take precautionary measures against static
discharges.
WGK (Water Danger/Protection)
CAS# 106-73-0: No information available.
Canada
CAS# 106-73-0 is listed on Canada's DSL List.
CAS# 106-73-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 106-73-0 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：2915900090

概述：
2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
监管条件：
A.入境货物通关单B.出境货物通关单
检验检疫：
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary：
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) 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：40.88

2、   摩尔体积（cm3/mol）：164.0

3、   等张比容（90.2K）：375.1

4、   表面张力（dyne/cm）：27.3

5、   介电常数：

6、   偶极距（10-24cm3）：

7、   极化率：16.20

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:0

3.氢键受体数量:2

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:10

8.表面电荷:0

9.复杂度:89.3

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

上下游相关产品

上游产品

更多

  • 109-65-9

    正溴丁烷

  • 292638-85-8

    acrylic acid methyl ester

  • 67-56-1

    甲醇

  • 592-41-6

    1-己烯

  • 201230-82-2

    carbon monoxide

下游产品

更多

  • 5445-22-7

    2-溴辛酸甲酯

  • 111-29-5

    1,5-戊二醇

  • 110-63-4

    1,4-丁二醇

  • 40646-07-9

    1,4-Heptanediol

  • 60096-09-5

    1,5-Heptanediol

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP