beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷]

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 基本信息

中文名称:
beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 
中文别名:
beta-环氧蒎烷;
(+)-Β-蒎烯氧化物;
6,6-二甲基螺旋[二环[3.1.1]庚-2,2’-环氧乙烷] 
英文名称:
Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane],6,6-dimethyl-
英文别名:
(+)-β-Pinene oxide;
Pinane,2,10-epoxy;
2,10-epoxypinane;
2,10-epoxy-pinan;
Pinan 
CAS No.:
6931-54-0
分 子 式:
C10H16O
分 子 量:
152.23
精确分子量:
152.12000
PSA:
12.53000
MDL:
MFCD00074769
EINECS:
230-055-8
BRN:
1523
InChI:
The Key: OUXAABAEPHHZPC-KTOWXAHTSA-N
危险品标志:
风险术语:
R36/37/38   
安全术语:
S26;S37/39
分子结构式:
SDS:
查看

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 物化性质

外观与性状:
透明无色液体
密度:
0.976
沸点:
98-100ºC (27 mmHg)
闪点:
66ºC
折射率:
1.476
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:

1. 存在于主流烟气中。

其它信息:

1.      性状:无色透明液体

2.      密度(g/mL,25℃):0.97

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):未确定

6.      沸点(ºC,27mmHg):98-100

7.      折射率(n20/D):1.476-1.481

8.      闪点(ºC):66

9.      比旋光度(º):6.5

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,217ºC):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

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 安全信息

海关代码:
2910900090
危险类别码:
R36/37/38
安全说明:
S26-S37/39
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。
:
危险标志:
Xi: Irritant;

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TK4570000
CHEMICAL NAME :
Pinane, 2,10-epoxy-
CAS REGISTRY NUMBER :
6931-54-0
BEILSTEIN REFERENCE NO. :
0105830
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H16-O
MOLECULAR WEIGHT :
152.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
125 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 249,55,1991
毒理学数据:

1、   致突变性

大肠杆菌突变:1mmol/L;

仓鼠肺的姐妹染色单体交换:125μmol/L;

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] MSDS

Name: (+)-beta-Pinene oxide tech. 75% Material Safety Data Sheet
Synonym: Spiro(Bicyclo(3.1.1)Heptane-2,2'-Oxirane), 6,6-Dimethyl- (9CI); 2,10-Epoxypinane
CAS: 6931-54-0
Section 1 - Chemical Product   MSDS Name:(+)-beta-Pinene oxide tech. 75% Material Safety Data Sheet
Synonym:Spiro(Bicyclo(3.1.1)Heptane-2,2'-Oxirane), 6,6-Dimethyl- (9CI); 2,10-Epoxypinane

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6931-54-0 (+)-beta-Pinene oxide 75 230-055-8
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. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause central nervous depression.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
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:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution. Combustible liquid and vapor.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep away from heat and flame.
Storage:
Keep away from sources of ignition. Keep container closed when not in use. 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6931-54-0: 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 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: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 98 - 100 deg C @ 27.00mmHG
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 66 deg C ( 150.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9760g/cm3
Molecular Formula: C10H16O
Molecular Weight: 152.24

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6931-54-0: TK4570000 LD50/LC50:
Not available.
Carcinogenicity:
(+)-beta-Pinene oxide - 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
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.
WGK (Water Danger/Protection)
CAS# 6931-54-0: No information available.
Canada
CAS# 6931-54-0 is listed on Canada's DSL List.
CAS# 6931-54-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6931-54-0 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 海关数据

中国海关编码:2910900090

概述:
2910900090. 三节环环氧化物,环氧醇(酚,醚),包括其卤化,磺化,硝化或亚硝化的衍生物. 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:
2910900090. epoxides, epoxyalcohols, epoxyphenols and epoxyethers, with a three-membered ring, and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 分子结构与计算化学数据

计算化学数据

1、   疏水参数计算参考值(XlogP):2.1

2、   氢键供体数量:0

3、   氢键受体数量:1

4、   可旋转化学键数量:0

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):12.5

7、   重原子数量:11

8、   表面电荷:0

9、   复杂度:209

10、 同位素原子数量:0

11、 确定原子立构中心数量:3

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

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 上游产品

beta-环氧蒎烷; 6,6-二甲基螺[二环[3.1.1]庚-2,2'-环氧乙烷] 下游产品

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