蒎烯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 表征图谱

蒎烯 基本信息

中文名称:
蒎烯 
中文别名:
蒎烯;
α-蒎烯;
β-蒎烯;
DL-α-蒎烯;
(+)-Β-蒎烯;
2,6,6-三甲基-双环(3.1.1)-2-庚烯;
Α-蒎烯(80-56-8);
Α-蒎烯(95%) 
英文名称:
ALPHA-PINENE
英文别名:
α-pinene;
Boc-Valinol;
Boc-L-valinol;
α-PINENE;
N-Boc-valinol;
alpha-pinene 
CAS No.:
2437-95-8
分 子 式:
C10H16
分 子 量:
136.23
精确分子量:
136.12500
PSA:
0.00000
EINECS:
201-291-9
InChI:
The Key: GRWFGVWFFZKLTI-UHFFFAOYSA-N
危险品标志:
Xi,N
风险术语:
R10-36/37/38-43-50
安全术语:
S26-36/37-61
分子结构式:
SDS:
查看

蒎烯 制备方法及用途

制备方法

可以从美洲松节油中直接分离产品。或在Pd/C存在下,由α-蒎烯异构化制得,或在Fe(CO)5存在下,加热α-蒎烯制得,光学收率为97%。或在低温醚溶液中,以α-蒎烯为原料,经溴代蒎烯等中间产物制得。

合成制备方法

可以从美洲松节油中直接分离产品。或在Pd/C存在下,由α-蒎烯异构化制得,或在Fe(CO)5存在下,加热α-蒎烯制得,光学收率为97%。或在低温醚溶液中,以α-蒎烯为原料,经溴代蒎烯等中间产物制得。

用途简介

作涂料,清漆的溶剂及合成香料的原料。

用途

作涂料,清漆的溶剂及合成香料的原料。

蒎烯 物化性质

密度:
0.879g/cm3
熔点:
-55ºC
沸点:
157.9ºC at 760 mmHg
闪点:
32.2ºC
折射率:
1.479
蒸汽压:
3.49mmHg at 25°C
存储条件/存储方法:

存放阴凉处,避免高温,不可近火,贮存于阴凉、通风的库房。远离火种、热源。库温不宜超过30℃,保持容器密封。应与氧化剂、酸类分开存放,切忌混贮。不宜大量贮存或久存。采用防爆型照明、通风设施,禁止使用易产生火花的机械设备和工具。贮区应备有泄漏应急处理设备和合适的收容材料。

稳定性相关:

能强烈刺激皮肤、黏膜和神经系统,引起头痛,皮炎,恶心,呕吐,对肝肾肠等内脏器官都有损害。

其它信息:

1.性状:无色油状液体

2.溶解性:不溶于水,能与乙醇,乙醚,氯仿和冰乙酸混溶。

3.熔点(ºC):-50

4.沸点(ºC):166

5.相对密度:0.87

6.闪点(闭口/ºC): -32.8

7.黏度(mPa·s,20ºC):1.40

8.蒸发热(215~760℃,kJ/mol):39.69

9.生成热(kJ·mol):-6205

10.燃烧热(25ºC,KJ/mol):4806.6

11.常温折射率(n20):1.4660

12.相对密度(25℃,4℃):0.855722

13.溶度参数(J·cm-3)0.5:16.032

14.van der Waals面积(cm2·mol-1):1.189×1010

15.van der Waals体积(cm3·mol-1):91.840

蒎烯 安全信息

包装等级:
III
风险类别:
3.2
海关代码:
2902191000
危险类别码:
R10;R36/37/38;R51/53;R65
安全说明:
S16-S23-S26-S29-S37/39-S61
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。
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:
Xi:Irritant;N:Dangerousfortheenvironment;

蒎烯 MSDS

Name: DL-alpha-pinene 97% Material Safety Data Sheet
Synonym: None
CAS: 2437-95-8
Section 1 - Chemical Product   MSDS Name:DL-alpha-pinene 97% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2437-95-8 DL-alpha-Pinene 97.0 219-445-9
Hazard Symbols: XI
Risk Phrases: 10 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Irritating to eyes, respiratory system and skin.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. Vapors may cause dizziness or suffocation.
Chronic:
No information found.

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 immediately.
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:
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 immediately.
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.
Notes to Physician:
Antidote: None reported.

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.
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. 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 heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2437-95-8: 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: colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 155.0 - 156.0 deg C @ 760.00m
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 33 deg C ( 91.40 deg F)
Explosion Limits, lower: .80 vol %
Explosion Limits, upper: 6.00 vol %
Decomposition Temperature:
Solubility in water: soluble in alcohol, chloroform and ether
Specific Gravity/Density: .8580g/cm3
Molecular Formula: C10H16
Molecular Weight: 136.24

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.
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# 2437-95-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
DL-alpha-Pinene - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: alpha-PINENE
Hazard Class: 3
UN Number: 2368
Packing Group: III
IMO
Shipping Name: alpha-PINENE
Hazard Class: 3.3
UN Number: 2368
Packing Group: III
RID/ADR
Shipping Name: alpha-PINENE
Hazard Class: 3
UN Number: 2368
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 10 Flammable.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 23 Do not inhale gas/fumes/vapour/spray.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 2437-95-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2437-95-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2437-95-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

蒎烯 海关数据

中国海关编码:2902191000

概述:
2902191000 蒎烯。监管条件:无。增值税率:17.0%。退税率:9.0%。最低关税:2.0%。普通关税:30.0%
申报要素:
品名, 成分含量
摘要/Summary:
2902191000 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:2.0%。General tariff:30.0%

蒎烯 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:43.96

2、  摩尔体积(cm3/mol):154.9

3、  等张比容(90.2K):347.5

4、  表面张力(dyne/cm):25.3

5、  极化率(10-24cm3):17.42

计算化学数据

1.疏水参数计算参考值(XlogP):2.8

2.氢键供体数量:0

3.氢键受体数量:0

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:10

8.表面电荷:0

9.复杂度:186

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:2

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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