6552-57-4

6552-57-4结构式

常用中文名：氧化乙烯-D4
常用英文名：ethylene-d4 oxide
CAS号：6552-57-4
分子式：C₂D₄O
分子量：48.07720
相关类别：分析化学标准品农残、兽药及化肥类
发布时间：2018-06-13 17:06:16
更新时间：2024-01-04 13:05:43

中文名	氘代氧化乙烯
英文名	2,2,3,3-tetradeuteriooxirane
英文别名	ethylene oxide-d4 Oxirane-d4 MFCD00144292 ethylene-d4 oxide

密度	0.896 g/mL at 25ºC
沸点	10.7ºC at 760 mmHg
熔点	-111ºC(lit.)
分子式	C₂D₄O
分子量	48.07720
精确质量	48.05130
PSA	12.53000
LogP	0.01660
蒸汽密度	1.52 (vs air)
折射率	1.403
储存条件	密闭,阴凉干燥处保存
稳定性	避免强氧化剂，酸性物质，碱金属避免光，明火，高温
计算化学	1.疏水参数计算参考值（XlogP）:-0.1 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:无 6.拓扑分子极性表面积12.5 7.重原子数量:3 8.表面电荷:0 9.复杂度:10.3 10.同位素原子数量:4 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
更多	1. 性状：未确定 2. 密度（g/mLat 25°C）：0.87 3. 相对蒸汽密度（g/mL,空气=1）：1.52 4. 熔点（ºC）：-111 5. 沸点（ºC,常压）：10.7 6. 沸点（ºC,0.1mmHg）：未确定 7. 折射率（n20/D）：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（mmHg,37ºC）：未确定 12. 饱和蒸气压（kPa,114.4 ºC）：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（MPa）：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

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Ethylene-d4 oxide
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later

registration deadline.
CAS-No.: 6552-57-4

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable gases (Category 1), H220
Acute toxicity, Oral (Category 3), H301
Acute toxicity, Inhalation (Category 3), H331
Eye irritation (Category 2), H319
Germ cell mutagenicity (Category 1B), H340
Carcinogenicity (Category 1B), H350
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
Chronic aquatic toxicity (Category 3), H412
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
F+ Extremely flammableR12
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordDanger
Hazard statement(s)
Extremely flammable gas.
Contains gas under pressure; may explode if heated.
Causes skin irritation.
Causes serious eye irritation.
Toxic if inhaled.
May cause respiratory irritation.
May cause genetic defects.
May cause cancer.
Precautionary statement(s)
Obtain special instructions before use.
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Avoid breathing gas.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Call a POISON CENTER or doctor/ physician.
P410 + P403Protect from sunlight. Store in a well-ventilated place.
Supplemental Hazardnone
Statements
Restricted to professional users.
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Synonyms: Deuterated ethylene oxide
Oxirane-D4
Formula: C2D4O
Molecular Weight: 48,08 g/mol
CAS-No.: 6552-57-4
No components need to be disclosed according to the applicable regulations.
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: 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. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: 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
no data available
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove
all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form
explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Clean up promptly by sweeping or vacuum.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid exposure - obtain special instructions before use.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.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Store under inert gas. hygroscopic
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
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 AXBEK (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).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: Compressed gas
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: -111 °C - lit.
point
f) Initial boiling point and 10,7 °C - lit.
boiling range
g) Flash point-20,00 °C - closed cup
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerUpper explosion limit: 99,90 %(V)
flammability orLower explosion limit: 3,00 %(V)
explosive limits
k) Vapour pressure1.440 hPa at 20,00 °C
2.080 hPa at 30,00 °C
3.950 hPa at 50,00 °C
l) Vapour densityno data available
m) Relative density0,896 g/mL at 25 °C0,896 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- log Pow: 0,300
octanol/water
p) Auto-ignitionno 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

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks. Extremes of temperature and direct sunlight.
Incompatible materials
Alcohols, Alkali metals, Ammonia, Oxidizing agents, Chemically active metals, and its salts
Hazardous decomposition products
no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 72 mg/kg
LC50 Inhalation - rat - 4,00 h - 800 ppm
Remarks: Lungs, Thorax, or Respiration:Other changes. Liver:Other changes. Kidney, Ureter,
Bladder:Other changes.
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
Eyes - rabbit
Result: Eye irritation - 6,00 h
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
In vivo tests showed mutagenic effects
Carcinogenicity
Possible human carcinogen
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting,
Exposure to large amounts can cause:, Pulmonary edema. Effects may be delayed., Convulsions, Lung
irritation, To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

SECTION 12: Ecological information
Toxicity
Toxicity to fishLC50 - Pimephales promelas (fathead minnow) - 84 mg/l - 96,0 h
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
Harmful to aquatic life with long lasting effects.
no data available

SECTION 13: 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.

SECTION 14: Transport information
UN number
ADR/RID: 1040IMDG: 1040IATA: 1040
UN proper shipping name
ADR/RID: ETHYLENE OXIDE
IMDG: ETHYLENE OXIDE
IATA:Ethylene oxide
Passenger Aircraft: Not permitted for transport
Cargo Aircraft: Not permitted for transport
Transport hazard class(es)
ADR/RID: 2.3 (2.1)IMDG: 2.3 (2.1)IATA: 2.3 (2.1)
Packaging group
ADR/RID: -IMDG: -IATA: -
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15: 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

SECTION 16 - ADDITIONAL INFORMATION
N/A

符号	GHS02, GHS04, GHS06, GHS08
信号词	Danger
危害声明	H220-H280-H315-H319-H331-H335-H340-H350
警示性声明	P201-P210-P261-P305 + P351 + P338-P311-P410 + P403
危害码 (欧洲)	F+: Highly flammable;T: Toxic;
风险声明 (欧洲)	R45
安全声明 (欧洲)	53-45
危险品运输编码	UN 1040 2
WGK德国	3
闪点（华氏）	-4 °F
闪点（摄氏）	-20 °C