1-hex-1-ynyl-3-methylbenzene

Modify Date: 2025-09-18 22:01:49

1-hex-1-ynyl-3-methylbenzene Structure
1-hex-1-ynyl-3-methylbenzene structure
 Common Name 1-hex-1-ynyl-3-methylbenzene
CAS Number 252045-81-1 Molecular Weight 172.26600
Density N/A Boiling Point N/A
Molecular Formula C13H16 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 1-hex-1-ynyl-3-methylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C13H16
Molecular Weight 172.26600
Exact Mass 172.12500
LogP 3.53670
InChIKey ADEGKMCLJHMUAM-UHFFFAOYSA-N
SMILES CCCCC#Cc1cccc(C)c1

 Synthetic Route

3-Iodotoluene structure

3-Iodotoluene

CAS#:625-95-6

Hex-1-yne structure

Hex-1-yne

CAS#:693-02-7

~93%

1-hex-1-ynyl-3-methylbenzene Structure

1-hex-1-ynyl-3-...

CAS#:252045-81-1

Literature: Li, Yingguang; Zhou, Ping; Dai, Zhihui; Hu, Zhixin; Sun, Peipei; Bao, Jianchun New Journal of Chemistry, 2006 , vol. 30, # 6 p. 832 - 837
3-Bromotoluene structure

3-Bromotoluene

CAS#:591-17-3

Hex-1-yne structure

Hex-1-yne

CAS#:693-02-7

~98%

1-hex-1-ynyl-3-methylbenzene Structure

1-hex-1-ynyl-3-...

CAS#:252045-81-1

Literature: Roesch; Larock Journal of Organic Chemistry, 2001 , vol. 66, # 2 p. 412 - 420
3-Iodotoluene structure

3-Iodotoluene

CAS#:625-95-6

tributyl(hex-1-ynyl)stannane structure

tributyl(hex-1-...

CAS#:35864-20-1

~87%

1-hex-1-ynyl-3-methylbenzene Structure

1-hex-1-ynyl-3-...

CAS#:252045-81-1

Literature: Zhao, Hong; Zheng, Guomin; Hao, Wenyan; Cai, Mingzhong Applied Organometallic Chemistry, 2010 , vol. 24, # 2 p. 92 - 98
3-Bromotoluene structure

3-Bromotoluene

CAS#:591-17-3

tributyl(hex-1-ynyl)stannane structure

tributyl(hex-1-...

CAS#:35864-20-1

~66%

1-hex-1-ynyl-3-methylbenzene Structure

1-hex-1-ynyl-3-...

CAS#:252045-81-1

Literature: Zhao, Hong; Zheng, Guomin; Hao, Wenyan; Cai, Mingzhong Applied Organometallic Chemistry, 2010 , vol. 24, # 2 p. 92 - 98
Hex-1-yne structure

Hex-1-yne

CAS#:693-02-7

~%

1-hex-1-ynyl-3-methylbenzene Structure

1-hex-1-ynyl-3-...

CAS#:252045-81-1

Literature: Kang, Song Su; Yum, Eul Kgun; Sung, Nack-Do Heterocycles, 2003 , vol. 60, # 12 p. 2727 - 2736
N/A structure

N/A

CAS#:1197991-11-9

~%

N/A structure

N/A

CAS#:1416562-64-5

1-hex-1-ynyl-3-methylbenzene Structure

1-hex-1-ynyl-3-...

CAS#:252045-81-1

Literature: Danilkina; Gorbunova; Sorokoumov; Balova Russian Journal of Organic Chemistry, 2012 , vol. 48, # 11 p. 1424 - 1434 Zh. Org. Khim., 2012 , vol. 48, # 11 p. 1428 - 1439,12
Hex-1-yne structure

Hex-1-yne

CAS#:693-02-7

~%

N/A structure

N/A

CAS#:1416562-64-5

1-hex-1-ynyl-3-methylbenzene Structure

1-hex-1-ynyl-3-...

CAS#:252045-81-1

Literature: Danilkina; Gorbunova; Sorokoumov; Balova Russian Journal of Organic Chemistry, 2012 , vol. 48, # 11 p. 1424 - 1434 Zh. Org. Khim., 2012 , vol. 48, # 11 p. 1428 - 1439,12
Methanol structure

Methanol

CAS#:67-56-1

N/A structure

N/A

CAS#:1416562-59-8

~%

N/A structure

N/A

CAS#:1416562-64-5

N/A structure

N/A

CAS#:1416562-72-5

Detail
Literature: Danilkina; Gorbunova; Sorokoumov; Balova Russian Journal of Organic Chemistry, 2012 , vol. 48, # 11 p. 1424 - 1434 Zh. Org. Khim., 2012 , vol. 48, # 11 p. 1428 - 1439,12

 Synonyms

1-(3-methylphenyl)hex-1-yne
1-(3-methylphenyl)-1-hexyne
Benzene,1-(1-hexynyl)-3-methyl
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