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Details

Stereochemistry ACHIRAL
Molecular Formula C4H6O2
Molecular Weight 86.0892
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTYNE-1,4-DIOL

SMILES

OCC#CCO

InChI

InChIKey=DLDJFQGPPSQZKI-UHFFFAOYSA-N
InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2

HIDE SMILES / InChI

Molecular Formula C4H6O2
Molecular Weight 86.0892
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
First total synthesis of (+/-)-taxifolial a and (+/-)-iso-caulerpenyne.
2001 May 31
A 13C solid-state NMR investigation of the alkynyl carbon chemical shift tensors for 2-butyne-1,4-diol.
2002 Feb-Mar
The use of sulfonylamido pyrimidines incorporating an unsaturated side chain as endothelin receptor antagonists.
2003 Mar 10
Rational design and synthesis of androgen receptor-targeted nonsteroidal anti-androgen ligands for the tumor-specific delivery of a doxorubicin-formaldehyde conjugate.
2003 Nov 20
Aquatic toxicity of selected chemicals as a basic criterion for environmental classification.
2003 Sep
Calculation of electric dipole intensity parameter to explore some interaction between hard metal ions Pr(III) and Nd(III) with pi-electron density of butene-1,4 and butyne-1,4-diols in non-aqueous solutions: an absorption spectral study.
2006 Jan
Preparation of 2-iodo allylic alcohols from 2-butyn-1,4-diol.
2008 Feb 15
Toxicology and carcinogenesis studies of propargyl alcohol (CAS No. 107-19-7) in F344/N rats and B6C3F1 mice (inhalation studies).
2008 Sep
[Setting limit values for chemical substances in the workplace: DNEL(INH) setting according to REACH principles following the example of 2-butyne-1,4-diol].
2009
(E)-1,1,4,4-Tetra-phenyl-but-2-yne-1,4-diol.
2010 Feb 20
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:27:39 GMT 2023
Edited
by admin
on Fri Dec 15 17:27:39 GMT 2023
Record UNII
AXH202FPQM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTYNE-1,4-DIOL
Systematic Name English
BUTYNEDIOL
Systematic Name English
2-BUTYNEDIOL
Systematic Name English
1,4-DIHYDROXY-2-BUTYNE
Systematic Name English
BIS(HYDROXYMETHYL)ACETYLENE
Systematic Name English
1,4-BUTYNEDIOL [HSDB]
Common Name English
NSC-834
Code English
Code System Code Type Description
WIKIPEDIA
1,4-Butynediol
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
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CAS
110-65-6
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
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HSDB
2004
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
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ECHA (EC/EINECS)
203-788-6
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
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EPA CompTox
DTXSID4021921
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
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CHEBI
16413
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
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PUBCHEM
8066
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
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FDA UNII
AXH202FPQM
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
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NSC
834
Created by admin on Fri Dec 15 17:27:40 GMT 2023 , Edited by admin on Fri Dec 15 17:27:40 GMT 2023
PRIMARY