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B103209

Sigma-Aldrich

2-Butyne-1,4-diol

99%

Synonym(s):

1,4-Butynediol, 1,4-Dihydroxy-2-butyne, 2-Butynediol, Bis(hydroxymethyl)acetylene

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About This Item

Linear Formula:
HOCH2C≡CCH2OH
CAS Number:
110-65-6
Molecular Weight:
86.09
Beilstein:
1071237
EC Number:
203-788-6
MDL number:
MFCD00002915
UNSPSC Code:
12352100
PubChem Substance ID:
24891548
NACRES:
NA.22

vapor pressure

<0.1 mmHg ( 55 °C)

Quality Level

200

Assay

99%

form

crystals

bp

238 °C (lit.)

mp

53-58 °C (lit.)

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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Application

2-Butyne-1,4-diol is extensively used in the cycloaddition reactions such as the homologation method for the preparation of substituted acenes, rhodium and iridium-catalyzed [2+ 2+ 2] inter and intramolecular cyclotrimerization. It can also be used in the total synthesis of (−)-isolaurallene, (−)-amphidinolide P and bistramide A.

Signal Word

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 Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class II Designated Chemical Substances

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

B103209-500G:
B103209-VAR:
B103209-1KG:
B103209-100G:
B103209-10KG:
B103209-5G:
B103209-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK4798
STBK2116
STBJ9728
STBJ6881
STBJ4661

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2-Butyn-1-ol 98%

Sigma-Aldrich

244341

2-Butyn-1-ol

Asymmetric total synthesis of (?)-isolaurallene.
Crimmins M T and Emmitte K A
Journal of the American Chemical Society, 123(7), 1533-1534 (2001)
A highly efficient and flexible synthesis of substituted carbazoles by rhodium?catalyzed inter?and intramolecular alkyne cyclotrimerizations.
Witulski B and Alayrac C
Angewandte Chemie (International Edition in English), 114(17), 3415-3418 (2002)
Total synthesis of (?)-amphidinolide P.
Williams D R, et al.
Organic Letters, 2(7), 945-948 (2000)
Homologation method for preparation of substituted pentacenes and naphthacenes.
Takahashi T, et al.
The Journal of Organic Chemistry, 71(21), 7967-7977 (2006)
Synthesis of silafluorenes by iridium-catalyzed [2+ 2+ 2] cycloaddition of silicon-bridged diynes with alkynes.
Matsuda T, et al.
Organic Letters, 9(1), 133-136 (2007)
View All Related Papers

Global Trade Item Number

SKUGTIN
B103209-1KG4061833420324
B103209-100G4061833420249
B103209-500G4061833420379
B103209-5G

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