2-butyne-1,4-diol
1,4-dimethoxyacetylene
Identification
| Name | 2-butyne-1,4-diol |
| IUPAC | but-2-yne-1,4-diol |
| CAS Number | 110-65-6 |
| EINECS | 203-788-6 |
| FDA UNII | AXH202FPQM |
| Molecular Formula | C4 H6 O2 |
| Molecular Weight | 86.09022000 |
| MDL Number | MFCD00002915 |
| Nikkaji Number | J5.098I |
| Beilstein | 1071237 |
Regulatory
Physical Properties
| Appearance | pale brown to brownish-yellow solid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 50.00 °C. @ 760.00 mm Hg |
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.008000 mmHg @ 25.00 °C. (est) |
| Flash Point | 306.00 °F. TCC ( 152.22 °C. ) |
| logP (o/w) | 0.093 (est) |
| Soluble in | water, 7.958e+005 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-bird - wild LD50 75 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-mouse LCLo 150 mg/m3/2H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | herbicides / pesticides |
| Recommendation for 2-butyne-1,4-diol usage levels up to | not for fragrance use. |
| Recommendation for 2-butyne-1,4-diol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
but-2-yne-1,4-diol
1,4-
butynediol
1,4-
butynediol [UN2716] [Poison]
1,4-
dihydroxy-2-butyne
1,4-
dimethoxyacetylene
PubMed:
Kinetic and DFT studies on the mechanism of C-S bond formation by alkyne addition to the [Mo3S4(H2O)9]4+ cluster.
PubMed:
Selective semihydrogenation of alkynes on shape-controlled palladium nanocrystals.
PubMed:
[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].
PubMed:
Preparation of 2-iodo allylic alcohols from 2-butyn-1,4-diol.
PubMed:
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.
PubMed:
Rational design and synthesis of androgen receptor-targeted nonsteroidal anti-androgen ligands for the tumor-specific delivery of a doxorubicin-formaldehyde conjugate.
PubMed:
The use of sulfonylamido pyrimidines incorporating an unsaturated side chain as endothelin receptor antagonists.
PubMed:
A 13C solid-state NMR investigation of the alkynyl carbon chemical shift tensors for 2-butyne-1,4-diol.
PubMed:
Allergic contact dermatitis from 2-butin-1,4-diol.
PubMed:
Investigation of Electrosorption of Organic Molecules onto Gold and Nickel Electrodes Using an Electrochemical Quartz Crystal Microbalance.
PubMed:
Developmental toxicity of 2-butin-1,4-diol following oral administration to the rat.
PubMed:
Subacute oral toxicity of 2-butyne-1,4-diol in rats.
PubMed:
Acute toxicity of 2-butyne-1,4-diol in laboratory animals.
PubMed:
A chemical study of 2-butyne-1,4-diol.
PubMed:
Contact dermatitis to Butin-2-diol 1,4.
PubMed:
Redox activation of galactose oxidase: thin-layer electrochemical study.
PubMed:
Irreversible inactivation of the flavoenzyme alcohol, oxidase with acetylenic alcohols.
PubMed:
But-2-yne-1,4 diol, primary gloss improver and contact sensitizer in a nickel plating bath.
PubMed:
Hypothermic and toxic actions of 2-butyne-1, 4-diol and other related diols in the rat.
PubMed:
Formation of dibutylphthalate from 2-butyne-1,4-diol by a soil bacterium.
PubMed:
SEPARATION OF 2-BUTYNE-1,4-DIOL, ITS MONOESTERS AND DIESTERS: A COMPARISON OF GLASS-PAPER CHROMATOGRAPHY AND THIN-LAYER CHROMATOGRAPHY.