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19190

2-Butyne-1,4-diol

purum, ≥98.0% (GC), slightly brown

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About This Item

Linear Formula:
HOCH2C≡CCH2OH
CAS Number:
110-65-6
Molecular Weight:
86.09
EC Number:
203-788-6
UNSPSC Code:
12352100
PubChem Substance ID:
24851515
Beilstein/REAXYS Number:
1071237
MDL number:
MFCD00002915
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vapor pressure

<0.1 mmHg ( 55 °C)

grade

purum

assay

≥98.0% (GC)

color

slightly brown

bp

238 °C (lit.)

mp

53-58 °C

SMILES string

OCC#CCO

InChI

1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2

InChI key

DLDJFQGPPSQZKI-UHFFFAOYSA-N

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signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1 - STOT RE 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

305.6 °F - closed cup

flash_point_c

152 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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Allergic contact dermatitis from 2-butin-1,4-diol.
V Blaschke et al.
Allergy, 56(3), 264-265 (2001-03-17)
R A Jedrychowski et al.
Journal of applied toxicology : JAT, 12(2), 117-122 (1992-04-01)
2-Butyne-1,4-diol was given to male and female Wistar Imp:DAK rats by oral gavage for 28 consecutive days in daily doses of 1, 10 or 50 mg kg-1 day-1. After 28 days all animals were necropsied. Blood samples were obtained and
Douglass F Taber et al.
The Journal of organic chemistry, 73(4), 1605-1607 (2008-01-17)
The conversion of 2-butyn-1,4-diol to (Z)-2,4-diiodobut-2-en-1-ol proceeded efficiently using in situ generated trimethylsilyl iodide. Coupling with Grignard reagents and other nucleophiles delivered (2Z)-2-iodo allylic alcohols. The geometry of the products was established by nOe.
Małgorzata Kupczewska-Dobecka et al.
Medycyna pracy, 60(5), 347-357 (2009-12-17)
Derived No Effect Level (DNEL(inh)) has been set for occupational exposure to but-2-yno-1,4-diol according to REACH principles. Maximum allowable concentration (MAC) and DNEL(inh) have been compared. Experimental data from two inhalation studies on rats and three oral studies have been
Guy M Bernard et al.
Solid state nuclear magnetic resonance, 21(1-2), 86-104 (2002-04-13)
The alkynyl carbon chemical shift (CS) tensors for 2-butyne-1,4-diol are reported, based on analyses of the carbon-13 NMR spectra of stationary-powder and slow magic-angle spinning (MAS) samples for which the alkynyl carbon nuclei are enriched in 13C. NMR spectra of
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