o-Xylene-a,a'-13C2 (6CI)

物化性质

密度：

0.886 g/mL at 25ºC

熔点：

-25--23ºC(lit.)

沸点：

143-145ºC(lit.)

闪点：

90 °F

折射率：

n20/D 1.505(lit.)

存储条件/存储方法：

保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

稳定性相关：

如果遵照规格使用和储存则不会分解，未有已知危险反应，避免强氧化物

其它信息：

1. 性状：未确定

2. 密度（g/mL,25ºC）：0.886

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：-25--23

5. 沸点（ºC）：143-145

6. 沸点（ºC，0.08mmHg）：未确定

7. 折射率：n20/D 1.505(lit.)

8. 闪点（°F）：90

9. 比旋光度（ºF）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,20ºC）：未确定

12. 饱和蒸气压（kPa,110ºC）：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

密度：

0.886 g/mL at 25ºC

熔点：

-25--23ºC(lit.)

沸点：

143-145ºC(lit.)

闪点：

90 °F

折射率：

n20/D 1.505(lit.)

存储条件/存储方法：

保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

稳定性相关：

如果遵照规格使用和储存则不会分解，未有已知危险反应，避免强氧化物

其它信息：

1. 性状：未确定

2. 密度（g/mL,25ºC）：0.886

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：-25--23

5. 沸点（ºC）：143-145

6. 沸点（ºC，0.08mmHg）：未确定

7. 折射率：n20/D 1.505(lit.)

8. 闪点（°F）：90

9. 比旋光度（ºF）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,20ºC）：未确定

12. 饱和蒸气压（kPa,110ºC）：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

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: o-Xylene-(dimethyl-13C2)
CAS-No.: 116599-62-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances


Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 3)
Acute toxicity, Inhalation (Category 4)
Acute toxicity, Dermal (Category 4)
Skin irritation (Category 2)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Flammable. Harmful by inhalation and in contact with skin. Irritating to skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordWarning
Hazard statement(s)
H226Flammable liquid and vapour.
H312Harmful in contact with skin.
H315Causes skin irritation.
H332Harmful if inhaled.
Precautionary statement(s)
P280Wear protective gloves/ protective clothing.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R10Flammable.
R20/21Harmful by inhalation and in contact with skin.
R38Irritating to skin.
S-phrase(s)
S25Avoid contact with eyes.
Other hazards - none
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms: 1,2-Dimethyl-13C2-benzene
o-Xylene-α,α′-13C2
Formula: 13C2C6H10
Molecular Weight: 108,15 g/mol
ComponentConcentration
o-Xylene-dimethyl-13C2
CAS-No.116599-62-3-
Section4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
narcosis, Lung irritation, chest pain, pulmonary edema, Central nervous system depression, Dermatitis,
Gastrointestinal disturbance, Liver injury may occur., Kidney injury may occur., Blood disorders
Indication of any immediate medical attention and special treatment needed
no data available
Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.
Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Beware of vapours accumulating to form explosive concentrations.
Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.
Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Store under inert gas. hygroscopic
Specific end uses
no data available
Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: liquid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: -25 - -23 °C
point
f) Initial boiling point and 143 - 145 °C at 1.013 hPa
boiling range
g) Flash point32 °C - closed cup
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density0,886 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available
Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:3 - Group 3: Not classifiable as to its carcinogenicity to humans (o-Xylene-dimethyl-13C2)
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
Potential health effects
InhalationHarmful if inhaled. Causes respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinHarmful if absorbed through skin. Causes skin irritation.
Signs and Symptoms of Exposure
narcosis, Lung irritation, chest pain, pulmonary edema, Central nervous system depression, Dermatitis,
Gastrointestinal disturbance, Liver injury may occur., Kidney injury may occur., Blood disorders
Additional Information
RTECS: Not available
Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available
Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.
Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 1307IMDG: 1307IATA: 1307
UN proper shipping name
ADR/RID: XYLENES
IMDG: XYLENES
IATA:Xylenes
Transport hazard class(es)
ADR/RID: 3IMDG: 3IATA: 3
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available
Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available
Section16. OTHER INFORMATION
Further information
Copyright 2011 Co. License granted to make unlimited paper copies for internal use only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Co., shall not be held liable for any damage
resulting from handling or from contact with the above product. See reverse side of invoice or packing
slip for additional terms and conditions of sale.

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：无可用的

2、摩尔体积（cm³/mol）：无可用的

3、等张比容（90.2K）：无可用的

4、表面张力（dyne/cm）：无可用的

5、介电常数：无可用的

6、极化率（10^-24cm³）：无可用的

7、单一同位素质量：108.08496 Da

8、标称质量：108 Da

9、平均质量：108.1503 Da

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: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:8

8.表面电荷:0

9.复杂度:56.4

10.同位素原子数量:2

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