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57018-52-7

57018-52-7结构式
57018-52-7结构式

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中文名 1-叔丁氧基-2-丙醇
英文名 1-[(2-methylpropan-2-yl)oxy]propan-2-ol
英文别名 Propylene glycol mono-t-butyl ether
1-tert-butoxy-2-propanol
1-tert-butoxy-propan-2-ol
propylene glycol-1-tert-butyl ether
MFCD00077674
Propylene glycol t-butyl ether
1-t-butoxy-2-propanol
EINECS 406-180-0
Propylenglykol-1-tert.-butylaether
1,2-propylene glycol 1-mono-tert-butyl ether
Propylene glycol mono-t-buthyl ether
密度 0.89g/cm3
沸点 155.3ºC at 760mmHg
分子式 C7H16O2
分子量 132.20100
闪点 49.7ºC
精确质量 132.11500
PSA 29.46000
LogP 1.18230
外观性状 无色液体
折射率 n20/D 1.413(lit.)
储存条件

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性

遵照规定使用和储存则不会分解。

分子结构

1、 疏水参数计算参考值(XlogP):0.8

2、 氢键供体数量:1

3、 氢键受体数量:2

4、 可旋转化学键数量:3

5、 拓扑分子极性表面积(TPSA):29.5

6、 重原子数量:9

7、 表面电荷:0

8、 复杂度:73.5

9、 同位素原子数量:0

10、 确定原子立构中心数量:0

11、 不确定原子立构中心数量:1

12、 确定化学键立构中心数量:0

13、 不确定化学键立构中心数量:0

14、 共价键单元数量:1

计算化学

1.疏水参数计算参考值(XlogP):0.8

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积29.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:73.5

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:1

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:无色液体

2. 密度(g/mL,25/4℃):0.874

3. 相对蒸汽密度(g/mL,空气=1):无可用

4. 熔点(ºC):无可用

5. 沸点(ºC,常压):143-145

6. 沸点(ºC,5.2kPa):无可用

7. 折射率:1.413

8. 闪点(ºC):44

9. 比旋光度(º):无可用

10. 自燃点或引燃温度(ºC):无可用

11. 蒸气压(kPa,25ºC):无可用

12. 饱和蒸气压(kPa,60ºC):无可用

13. 燃烧热(KJ/mol):无可用

14. 临界温度(ºC):无可用

15. 临界压力(KPa):无可用

16. 油水(辛醇/水)分配系数的对数值:无可用

17. 爆炸上限(%,V/V):无可用

18. 爆炸下限(%,V/V):无可用

19. 溶解性:无可用


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: 1-tert-Butoxy-2-propanol
CAS-No.: 57018-52-7
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)
Serious eye damage (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Flammable. Risk of serious damage to eyes.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H226Flammable liquid and vapour.
H318Causes serious eye damage.
Precautionary statement(s)
P280Wear protective gloves/ eye protection/ face protection.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R10Flammable.
R41Risk of serious damage to eyes.
S-phrase(s)
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S39Wear eye/face protection.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms: Propylene glycol 1-tert-butyl ether
Formula: C7H16O2
Molecular Weight: 132,2 g/mol
ComponentConcentration
1-tert-Butoxypropan-2-ol
CAS-No.57018-52-7-
EC-No.406-180-0
Index-No.603-129-00-6

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
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
Dizziness, Cough, Difficulty in breathing, To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
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. Evacuate personnel to safe areas. 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 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.
Air and moisture sensitive. Store under inert gas.
Specific end use(s)
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
Tightly fitting safety goggles. Faceshield (8-inch minimum). 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: clear, liquid
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 143 - 145 °C - lit.
boiling range
g) Flash point44 °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 density0,874 g/cm3 at 20 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
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

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Avoid moisture.
Heat, flames and sparks.
Incompatible materials
Strong acids, Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
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 (1-tert-Butoxypropan-2-ol)
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
no data available
Potential health effects
InhalationMay be harmful if inhaled. May cause respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. May cause skin irritation.
EyesCauses eye burns.
Signs and Symptoms of Exposure
Dizziness, Cough, Difficulty in breathing, To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
Additional Information
RTECS: UB3772000

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: 1987IMDG: 1987IATA: 1987
UN proper shipping name
ADR/RID: ALCOHOLS, N.O.S. (1-tert-Butoxypropan-2-ol)
IMDG: ALCOHOLS, N.O.S. (1-tert-Butoxypropan-2-ol)
IATA:Alcohols, n.o.s. (1-tert-Butoxypropan-2-ol)
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



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UB3772000
CHEMICAL NAME :
Propanol, (1,1-dimethylethoxy)-
CAS REGISTRY NUMBER :
57018-52-7
BEILSTEIN REFERENCE NO. :
1734501
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H16-O2
MOLECULAR WEIGHT :
132.23

危害码 (欧洲) Xi
风险声明 (欧洲) R10
安全声明 (欧洲) 26-39
危险品运输编码 UN 1987 3/PG 3
包装等级 III
危险类别 3.2

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详细
文献:WO2006/34997 A1, ; Page/Page column 19 ;

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文献:EP419077 A2, ;

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文献:Chemistry - A European Journal, , vol. 18, # 22 p. 6907 - 6914

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文献:Chemistry - A European Journal, , vol. 18, # 22 p. 6907 - 6914

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文献:Carbohydrate Research, , vol. 106, p. 1 - 20

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文献:Roczniki Chemii, , vol. 48, p. 1241 - 1253