EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-butyne-1,4-diol
1,4-dimethoxyacetylene

Supplier Sponsors

Name:but-2-yne-1,4-diol
CAS Number: 110-65-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-788-6
FDA UNII: AXH202FPQM
Nikkaji Web:J5.098I
Beilstein Number:1071237
MDL:MFCD00002915
XlogP3-AA:-1.10 (est)
Molecular Weight:86.09022000
Formula:C4 H6 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:herbicides / pesticides
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BASF
2-Butyne-1,4-diol
Charkit Chemical
BUTYNEDIOL
EMD Millipore
For experimental / research use only.
2-Butyne-1,4-diol
Santa Cruz Biotechnology
For experimental / research use only.
2-Butyne-1,4-diol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Butyne-1,4-diol 99%
TCI AMERICA
For experimental / research use only.
2-Butyne-1,4-diol >99.0%(GC)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-bird - wild LD50 75 mg/kg
Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

oral-guinea pig LD50 130 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BLOOD: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Hygiene and Sanitation Vol. 33(1-3), Pg. 41, 1968.

oral-mouse LD50 105 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: OTHER CHANGES
Hygiene and Sanitation Vol. 33(1-3), Pg. 41, 1968.

oral-rabbit LD50 150 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BLOOD: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Hygiene and Sanitation Vol. 33(1-3), Pg. 41, 1968.

intraperitoneal-rat LD50 52435 ug/kg
Journal of Pharmacy and Pharmacology. Vol. 26, Pg. 597, 1974.

oral-rat LD50 105 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: OTHER CHANGES
Hygiene and Sanitation Vol. 33(1-3), Pg. 41, 1968.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-mouse LCLo 150 mg/m3/2H
BLOOD: HEMORRHAGE LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 7, Pg. 13, 1965.

inhalation-rat LCLo 150 mg/m3/2H
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI BLOOD: HEMORRHAGE
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 7, Pg. 13, 1965.

 
Safety in Use Information:
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.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):110-65-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8066
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
but-2-yne-1,4-diol
Chemidplus:0000110656
EPA/NOAA CAMEO:hazardous materials
RTECS:ES0525000 for cas# 110-65-6
 
References:
 but-2-yne-1,4-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-65-6
Pubchem (cid):8066
Pubchem (sid):134974523
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C02497
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.9000
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grade: crystalline solid, 97%; aqueous solution 35%
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 but-2-yne-1,4-diol
1,4-butynediol
1,4-butynediol [UN2716] [Poison]
1,4-dihydroxy-2-butyne
1,4-dimethoxyacetylene
 

Articles:

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.
 
Notes:
None found
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