1-ethynyl-4-isopropylbenzene

Modify Date: 2024-01-09 08:32:44

1-ethynyl-4-isopropylbenzene Structure
1-ethynyl-4-isopropylbenzene structure
Common Name 1-ethynyl-4-isopropylbenzene
CAS Number 132464-91-6 Molecular Weight 144.21300
Density N/A Boiling Point N/A
Molecular Formula C11H12 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 1-ethynyl-4-isopropylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C11H12
Molecular Weight 144.21300
Exact Mass 144.09400
LogP 2.79130

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: (4-(2-Methylpropyl)Phenyl)Acetylene
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.: 132464-91-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
N Dangerous for theR51/53
environment
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
Substances
Molecular weight: 158,24 g/mol
CAS-No.: 132464-91-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
(4-(2-Methylpropyl)phenyl)acetylene
CAS-No.132464-91-6<= 100 %
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
(4-(2-Methylpropyl)phenyl)acetylene
CAS-No.132464-91-6N, R51/53<= 100 %

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. 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.
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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
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.
Storage class (TRGS 510): Non Combustible Liquids
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
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
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
impervious 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).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: 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/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash pointNot applicable
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 densityNo data available
n) Water solubilityNo data available
o) Partition coefficient: n- log Pow: 4,342
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
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
Skin corrosion/irritation
Serious eye damage/eye irritation
Respiratory or skin sensitisation
Germ cell mutagenicity
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
Specific target organ toxicity - single exposure
Specific target organ toxicity - repeated exposure
Aspiration hazard
Additional Information
RTECS: Not available
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) - 1,1 mg/l - 96 h
Persistence and degradability
Bioaccumulative potential
Mobility in soil
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects

SECTION 13: Disposal considerations
Waste treatment methods
Product
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: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
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
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of R-phrases referred to under sections 2 and 3
NDangerous for the environment
R51/53Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic
environment.
Further information
Copyright 2014 Co. LLC. 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. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

 Synthetic Route

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1-ethynyl-4-isopropylbenzene Structure

1-ethynyl-4-iso...

CAS#:132464-91-6

Literature: JAPAN TOBACCO INC. Patent: US2012/322837 A1, 2012 ; Location in patent: Page/Page column 108 ; US 20120322837 A1

~%

1-ethynyl-4-isopropylbenzene Structure

1-ethynyl-4-iso...

CAS#:132464-91-6

Literature: Kotha; Tafesh; Davenport; Ortiz Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001 , vol. 40, # 12 p. 1166 - 1169

~%

1-ethynyl-4-isopropylbenzene Structure

1-ethynyl-4-iso...

CAS#:132464-91-6

Literature: JAPAN TOBACCO INC. Patent: US2012/322837 A1, 2012 ; US 20120322837 A1

~%

1-ethynyl-4-isopropylbenzene Structure

1-ethynyl-4-iso...

CAS#:132464-91-6

Literature: JAPAN TOBACCO INC. Patent: US2012/322837 A1, 2012 ; US 20120322837 A1

~%

1-ethynyl-4-isopropylbenzene Structure

1-ethynyl-4-iso...

CAS#:132464-91-6

Literature: JAPAN TOBACCO INC. Patent: US2012/322837 A1, 2012 ; US 20120322837 A1

 Synonyms

1-ethynyl-4-isobutylbenzene
p-isobutylphenylacetonitrile
4'-isobutylphenyl acetylene
4-isobutylphenylacetonitrile
p-Isobutylphenylacetonitril
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