1-Ethynyl-4-(2-methyl-2-propanyl)benzene

Basic Information

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CAS Number

772-38-3

Molecular Formula

C12H14

Molecular Weight

158.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

70 °C/2 mmHg

Density

0.877 g/mL at 25 °C

Water Solubility

Difficult to mix with water.

Refractive Index

1.528-1.53

SMILES

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CC(C)(C)C1=CC=C(C=C1)C#C

InChI

InChI=1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3

InChIKey

ZSYQVVKVKBVHIL-UHFFFAOYSA-N

LogP

2.96540

Complexity

178

Safety Information

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Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

4-(TERT-BUTYL)PHENYLACETYLENE
4-tert-Butylphenylacetylene
1-(1,1-Dimethylethyl)-4-ethynylbenzene
1-ethynyl-4-(tert-butyl)benzene
AC9355
SY061552
AKOS009461311
4-tert.butylphenylacetylen
PS-8806
AB90090
Benzene, 1-(1,1-dimethylethyl)-4-ethynyl-
1-(tert-butyl)-4-ethynylbenzene
1-Ethynyl-4-(2-methyl-2-propanyl)benzene
ZSYQVVKVKBVHIL-UHFFFAOYSA-N
4-t-butylphenylacetylene
MFCD00190197
4-tert-butylphenyl acetylene
1-tert-butyl-4-ethynyl-benzene
(4-tert-butyl) phenylethyne
DTXSID80373825
(4-tert-butyl)phenylethyne
PD195190
FT-0632931
EN300-736638
A19161
CS-0092320
772-38-3
4-tert-Butylphenylacetylene, 96%
1-tert-butyl-4-ethynylbenzene
4-tert-butylphenyl ethyne
4-(tert-butyl)-phenylacetylene

MDL Number

MFCD00190197

Customs Code

2902909090

FAQ

What regulatory guidelines apply to 1-Ethynyl-4-(2-methyl-2-propanyl)benzene (CAS: 772-38-3)?

1-Ethynyl-4-(2-methyl-2-propanyl)benzene (CAS: 772-38-3) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for classification and labeling. It falls under the European Union's Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH) regulations. FDA and EPA require compliance with specific handling, storage, and disposal guidelines to ensure environmental and human safety.

Are there alternatives to 1-Ethynyl-4-(2-methyl-2-propanyl)benzene (CAS: 772-38-3) in synthesis?

Yes, there are alternatives to 1-Ethynyl-4-(2-methyl-2-propanyl)benzene (CAS: 772-38-3) in synthesis, such as using related alkynes and benzene derivatives. Common substitutes include ethynylbenzene and 1-methyl-4-ethynylbenzene. These alternatives offer similar chemical functionalities but may have different reactivity and cost profiles.

What is the market or research trend for 1-Ethynyl-4-(2-methyl-2-propanyl)benzene (CAS: 772-38-3)?

The market trend for 1-Ethynyl-4-(2-methyl-2-propanyl)benzene (CAS: 772-38-3) reflects a growing interest in its use as a precursor in organic synthesis. Research is focusing on its application in developing new materials and pharmaceuticals. However, the overall market is relatively niche, with demand driven by specific industrial and academic needs.

How should waste containing 1-Ethynyl-4-(2-methyl-2-propanyl)benzene (CAS: 772-38-3) be handled?

Waste containing 1-Ethynyl-4-(2-methyl-2-propanyl)benzene (CAS: 772-38-3) should be collected in appropriate containers and stored in a cool, well-ventilated area away from incompatible materials. Proper incineration is recommended for disposal, and professional waste disposal services should be utilized to ensure compliance with environmental regulations and safety standards. Always follow local and national guidelines for hazardous waste management.