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447986

Sigma-Aldrich

3-Butyn-2-ol

97%

Synonym(s):

(RS)-1-Butyn-3-ol, (±)-3-Butyn-2-ol, (±)-But-1-yn-3-ol, 1-Butyn-3-ol, 1-Methyl-2-propyn-1-ol, 1-Methylpropargyl alcohol, 2-Hydroxy-3-butyne, 3-Methyl-1-propyn-3-ol

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About This Item

Linear Formula:
HC≡CCH(OH)CH3
CAS Number:
2028-63-9
Molecular Weight:
70.09
EC Number:
217-978-1
MDL number:
MFCD00004541
UNSPSC Code:
12352100
PubChem Substance ID:
24868376
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.426 (lit.)

bp

66-67 °C/150 mmHg (lit.)

density

0.894 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

CC(O)C#C

InChI

1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3

InChI key

GKPOMITUDGXOSB-UHFFFAOYSA-N

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Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 2 - Self-react. G - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

42.8 °F - closed cup

Flash Point(C)

6 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW0971
MKCW8563
MKCV8835
MKCV8437
MKCW0173

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Calculation of the molecular ordering parameters of (?)-3-butyn-2-ol dissolved in an organic solution of poly (γ-benzyl-l-glutamate).
Lesot P, et al.
The Journal of Physical Chemistry A, 101(31), 5719-5724 (1997)
Lipase-catalyzed kinetic resolution of 3-butyn-2-ol.
Nakamura K, et al.
Tetrahedron Asymmetry, 9(24), 4429-4439 (1998)
Vibrational Circular Dichroism within the polarizable continuum model: a theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution.
Cappelli C, et al.
The Journal of Physical Chemistry A, 106(51), 12331-12339 (2002)

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