CAS 1942-45-6|oct-4-yne|4-Octyne|4-octyne|4-辛炔|4-Octyne|Di-n-propylacetylene

Molecular Formula

C₈H₁₄

Molecular Mass

110.19676

Exact Mass

110.10955045

InChI

InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

InChIKey

GZTNBKQTTZSQNS-UHFFFAOYSA-N

Canonic Smiles

CCCC#CCCC

Isomeric Smiles

CCCC#CCCC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.604982

LogD (pH = 7.4)

3.604982

Log P

3.604982

Molar Refractivity

37.9716

Polarizability

14.411801

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

16029

IUPAC name

oct-4-yne

Synonyms

4-Octyne4-辛炔4-OctyneDi-n-propylacetylene

IUPAC Traditional name

4-octyne

PubChem SID

Beilstein Number

MDL Number

CAS Number

Physical Property

Safety Information

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

99%

≥98.0% (GC)

CH3CH2CH2C≡CCH2CH2CH3

puriss.

No Data Available

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No Data Available

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Sigma Aldrich

244473

Packaging
5, 25 g in glass bottle

No Data Available

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Academic Data

PubChem

16029

IUPAC name

oct-4-yne

Synonyms

4-Octyne4-辛炔4-OctyneDi-n-propylacetylene

IUPAC Traditional name

4-octyne

PubChem SID

Beilstein Number

MDL Number

CAS Number

244473

Packaging
5, 25 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

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

99%

≥98.0% (GC)

CH3CH2CH2C≡CCH2CH2CH3

puriss.

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

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

GHS Precautionary statements

P261-P301+P310-P305+P351+P338-P331

P210-P243-P301+P330+P331-P315

GHS Hazard statements

H226-H304-H315-H319-H335

H225-H304

MSDS Link

Download link

Risk Statements

10-36/37/38-65

11-65

RID/ADR

UN 3295 3/PG 3

Personal Protective Equipment

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

European Hazard Symbols

Harmful (Xn)

Harmful (X)

Flammable (F)

GHS Signal Word

Danger

UN Number

3295

UN3295

Safety Statements

26-62

16-29-33-62

Hazard Class

Packing Group

German water hazard class

TSCA Listed

是

Molecule

ID:89891