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772-38-3

772-38-3 structure
772-38-3 structure

Name 4-tert-Butylphenylacetylene
Synonyms 1-tert-butyl-4-ethynylbenzene
MFCD00190197
Density 0.877 g/mL at 25 °C(lit.)
Boiling Point 70 °C2 mm Hg(lit.)
Molecular Formula C12H14
Molecular Weight 158.24000
Flash Point 180 °F
Exact Mass 158.11000
LogP 2.96540
Index of Refraction 1.528-1.53

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name: 4-tert-Butylphenylacetylene

Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
According to Regulation (EC) No1272/2008
Eye irritation (Category 2)
Acute aquatic toxicity (Category 1)
Chronic aquatic toxicity (Category 1)
According to European Directive 67/548/EEC as amended.
Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Label elements
Pictogram
Signal wordWarning
Hazard statement(s)
H319Causes serious eye irritation.
H410Very toxic to aquatic life with long lasting effects.
Precautionary statement(s)
P273Avoid release to the environment.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P501Dispose of contents/container to an approved waste disposal plant.
Hazard symbol(s)
NDangerous for the environment
R-phrase(s)
R50/53Very toxic to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
S-phrase(s)
S36/37Wear suitable protective clothing and gloves.
S60This material and its container must be disposed of as hazardous waste.
S61Avoid release to the environment. Refer to special instructions/ Safety data
sheets.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Formula: C12H14
Molecular Weight: 158,24 g/mol
CAS-No.EC-No.Index-No.ClassificationConcentration
4-tert-Butylphenylacetylene
772-38-3--Eye Irrit. 2; Aquatic Acute 1;-
Aquatic Chronic 1; H319,
H410
N, R50/53
For the full text of the H-Statements mentioned in this Section, see Section 16.

Section4. FIRST AID MEASURES
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
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective equipment for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions
Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
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
Keep in suitable, closed containers for disposal.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage
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.

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Personal protective equipment
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).
Hand protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
standard EN 374 derived from it.
Handle with gloves.
Eye protection
Safety glasses with side-shields conforming to EN166
Skin and body protection
Choose body protection according to the amount and concentration of the dangerous substance at the
work place.
Hygiene measures
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
the end of workday.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Formliquid
Colourcolourless
Safety data
pH no data available
Melting pointno data available
Boiling point70 °C at 3 hPa - lit.
Flash point82,2 °C - closed cup
Ignition temperature no data available
Lower explosion limit no data available
Upper explosion limit no data available
Density0,877 g/cm3 at 25 °C
Water solubilityno data available
Partition coefficient: log Pow: 4,394
n-octanol/water

Section10. STABILITY AND REACTIVITY
Chemical stability
Stable under recommended storage conditions.
Conditions to avoid
no data available
Materials to avoid
Strong oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides

Section11. TOXICOLOGICAL INFORMATION
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
Germ cell mutagenicity
no data available
Carcinogenicity
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
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.
EyesMay cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: no data 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
PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.

Section13. DISPOSAL CONSIDERATIONS
Product
This combustible material may be burned in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental regulations. Contact a licensed professional
waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
ADR/RID
UN-Number: 3082 Class: 9Packing group: III
Proper shipping name: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (4-tert-
Butylphenylacetylene)
IMDG
UN-Number: 3082 Class: 9Packing group: IIIEMS-No: F-A, S-F
Proper shipping name: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (4-tert-
Butylphenylacetylene)
Marine pollutant: No
IATA
UN-Number: 3082 Class: 9Packing group: III
Proper shipping name: Environmentally hazardous substance, liquid, n.o.s. (4-tert-Butylphenylacetylene)

Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.

Section16. OTHER INFORMATION
Text of H-code(s) and R-phrase(s) mentioned in Section 3
Aquatic AcuteAcute aquatic toxicity
Aquatic ChronicChronic aquatic toxicity
Eye Irrit.Eye irritation
H319Causes serious eye irritation.
H410Very toxic to aquatic life with long lasting effects.
NDangerous for the environment
R50/53Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic
environment.
Further information
Copyright 2010 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.
Hazard Codes N,Xi
Risk Phrases R50/53
Safety Phrases S36/37-S60-S61
RIDADR UN 3082 9/PG 3
WGK Germany 3
HS Code 2902909090

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Literature: Canadian Journal of Chemistry, , vol. 79, # 5-6 p. 878 - 887

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Literature: Tetrahedron, , vol. 63, # 30 p. 7018 - 7026

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Literature: Tetrahedron, , vol. 63, # 30 p. 7018 - 7026

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Literature: Tetrahedron, , vol. 53, # 45 p. 15515 - 15534

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Literature: Organic and Biomolecular Chemistry, , vol. 11, # 39 p. 6707 - 6712

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Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 8, p. 1727 - 1729 Zhurnal Organicheskoi Khimii, , vol. 8, p. 1690 - 1692

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772-38-3

Literature: Chinese Journal of Chemistry, , vol. 29, # 11 p. 2350 - 2354
HS Code 2902909090
Summary 2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%