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3174-67-2,MFCD01709303
Catalog No.:AA00CZ7P

3174-67-2 | 1,3-Pentanediol

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100mg
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$193.00   $135.00
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250mg
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$328.00   $230.00
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1g
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$888.00   $621.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CZ7P
Chemical Name:
1,3-Pentanediol
CAS Number:
3174-67-2
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD01709303
SMILES:
OCCC(CC)O
Properties
Properties
 
Form:
Liquid  

Computed Properties
 
Complexity:
37.1  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.2  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1991,vol.56,p.6206-6209

3174-67-2    74684-38-1   
(R)-3-hydroxypentyl3,5-di-tert-butyl-4-methoxybenzoate 
 
(S)-1-hydroxypentan-3-yl3,5-di-tert-butyl-4-methoxybenzoate 
 
1-hydroxypentan-3-yl3,5-di-tert-butyl-4-methoxybenzoate 

[1]OrganicLetters,2019,vol.21,p.5197-5200

3174-67-2    74684-38-1   
(±)-(2R,4S)-2-(3,5-di-tert-butyl-4-methoxyphenyl)-4-ethyl-1,3-dioxane 

[1]OrganicLetters,2019,vol.21,p.5197-5200

[1]Betchaku,Mii;Cao,Ji;Liu,Lujie;Nakagawa,Yoshinao;Tamura,Masazumi;Tomishige,Keiichi;Yabushita,Mizuho[GreenChemistry,2021,vol.23,#15,p.5665-5679]

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Tags:3174-67-2 Molecular Formula|3174-67-2 MDL|3174-67-2 SMILES|3174-67-2 1,3-Pentanediol