CAS 42969-65-3|CAS 2914-69-4|(2R)-(+)-But-3-yn-2-ol|(2S)-but-3-yn-2-ol|(2S)-but-3-yn-2-ol|(3R)-(+)-3-Hydroxybut-1-yne|(S)-(-)-3-Butyn-2-ol|(S)-(-)-3-丁炔-2-醇

Molecular Formula

C₄H₆O

Molecular Mass

70.08984

Exact Mass

70.04186481

InChI

InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m0/s1

InChIKey

GKPOMITUDGXOSB-BYPYZUCNSA-N

Canonic Smiles

C[C@@H](C#C)O

Isomeric Smiles

O[C@H](C#C)C

JChem

Acid pKa

14.477873

H Acceptors

H Donor

LogD (pH = 5.5)

0.126081

LogD (pH = 7.4)

0.12608096

Log P

0.126081

Molar Refractivity

20.2603

Polarizability

7.6195855

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

6995470

IUPAC Traditional name

(2S)-but-3-yn-2-ol

Synonyms

(2R)-(+)-But-3-yn-2-ol(3R)-(+)-3-Hydroxybut-1-yne(S)-(-)-3-Butyn-2-ol(S)-(-)-3-丁炔-2-醇

IUPAC name

(2S)-but-3-yn-2-ol

PubChem SID

16204283924870127

Beilstein Number

4652597

MDL Number

MFCD00190166

Physical Property

Safety Information

Very Toxic/Flammable/Keep Cold

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Product Information

97%

99%

HC≡CCH(OH)CH3

No Data Available

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No Data Available

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Sigma Aldrich

464007

Application
Used in a ruthenium-catalyzed polymerization providing helical polyacetylenes.1
Packaging
1, 5 g in glass bottle

No Data Available

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Academic Data

PubChem

6995470

IUPAC Traditional name

(2S)-but-3-yn-2-ol

Synonyms

(2R)-(+)-But-3-yn-2-ol(3R)-(+)-3-Hydroxybut-1-yne(S)-(-)-3-Butyn-2-ol(S)-(-)-3-丁炔-2-醇

IUPAC name

(2S)-but-3-yn-2-ol

PubChem SID

Beilstein Number

MDL Number

464007

Application
Used in a ruthenium-catalyzed polymerization providing helical polyacetylenes.1
Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

Very Toxic/Flammable/Keep Cold

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Product Information

97%

99%

HC≡CCH(OH)CH3

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

GHS Hazard statements

H226-H300-H310-H315-H317-H319-H330

H300-H310-H315-H319-H335-H226

European Hazard Symbols

Flammable (F)

Highly toxic (T+)

Toxic (T)

Packing Group

GHS Signal Word

Danger

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Class

6.1

UN Number

2929

UN2929

RID/ADR

UN 2929 6.1/PG 2

MSDS Link

Download link

Risk Statements

11-26/27/28-36/38

10-24/25-36/37/38

Safety Statements

16-26-36/37/39-45

20-23-26-27-36/37/39-45

German water hazard class

GHS Precautionary statements

P260-P264-P280-P284-P301+P310-P302+P350

P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

TSCA Listed

否

Molecule

ID:78003