CAS 1002-36-4|hept-2-yn-1-ol|2-HEPTYN-1-OL|hept-2-yn-1-ol|2-庚炔-1-醇|2-Heptyn-1-ol|Hept-2-yn-1-ol

Molecular Formula

C₇H₁₂O

Molecular Mass

112.16958

Exact Mass

112.088815

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-4,7H2,1H3

InChIKey

OGDYROFIIXDTQK-UHFFFAOYSA-N

Canonic Smiles

CCCCC#CCO

Isomeric Smiles

CCCCC#CCO

JChem

Acid pKa

13.552816

H Acceptors

H Donor

LogD (pH = 5.5)

1.879642

LogD (pH = 7.4)

1.8796418

Log P

1.879642

Molar Refractivity

35.1453

Polarizability

13.144973

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

535111

IUPAC name

hept-2-yn-1-ol

IUPAC Traditional name

hept-2-yn-1-ol

Synonyms

2-HEPTYN-1-OL2-庚炔-1-醇2-Heptyn-1-olHept-2-yn-1-ol

CAS Number

PubChem SID

MDL Number

Beilstein Number

MSDS Link

German water hazard class

GHS Precautionary statements

P261-P342+P311

P210-P280-P370+P378A-P403+P235-P501A

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

H334

H227

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

Product Information

Download link

C7H12O

97%

95+%

Physical Property

No Data Available

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No Data Available

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MP Biomedicals

05214528

MP Biomedicals Rare Chemical collection

Sigma Aldrich

630810

Packaging
5, 25 g in glass bottle

From Data Sources

• Undergoes hydromagnesiation reaction with isobutylmagnesium bromide, catalyzed by titanocene dichloride: Org. Synth. Coll., 8, 507 (1993). For an illustration of this reaction, see Bis(cyclopentadienyl)titanium dichloride, A11456.