CAS 4984-01-4|3,7-DIMETHYL-1-OCTENE|1-octene, 3,7-dimethyl-|3,7-dimethyloct-1-ene|3,7-二甲基-1-辛烯|3,7-Dimethyl-1-octene

Molecular Formula

C₁₀H₂₀

Molecular Mass

140.2658

Exact Mass

140.15650064

InChI

InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h5,9-10H,1,6-8H2,2-4H3

InChIKey

KSXTZYRIJKDCEA-UHFFFAOYSA-N

Canonic Smiles

C=CC(CCCC(C)C)C

Isomeric Smiles

CC(C)CCCC(C)C=C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.2903256

LogD (pH = 7.4)

4.2903256

Log P

4.2903256

Molar Refractivity

47.7515

Polarizability

18.989107

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

21085

Synonyms

3,7-DIMETHYL-1-OCTENE3,7-二甲基-1-辛烯3,7-Dimethyl-1-octene

IUPAC Traditional name

1-octene, 3,7-dimethyl-

IUPAC name

3,7-dimethyloct-1-ene

CAS Number

Beilstein Number

MDL Number

PubChem SID

Product Information

Certificate of Analysis

Download link

Linear Formula

(CH3)2CHCH2CH2CH2CH(CH3)CH=CH2

Purity

≥97.0% (GC)

MSDS Link

Download link

Risk Statements

UN Number

3295

GHS Signal Word

Warning

Personal Protective Equipment

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

Storage Temperature

2-8°C

Hazard Class

German water hazard class

GHS Pictograms

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

Packing Group

GHS Hazard statements

H226

RID/ADR

UN 3295 3/PG 3

Physical Property

No Data Available

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No Data Available

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MP Biomedicals

05226353

MP Biomedicals Rare Chemical collection

Sigma Aldrich

40980

Packaging
1 mL in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

21085

Synonyms

3,7-DIMETHYL-1-OCTENE3,7-二甲基-1-辛烯3,7-Dimethyl-1-octene

IUPAC Traditional name

1-octene, 3,7-dimethyl-

IUPAC name

3,7-dimethyloct-1-ene

CAS Number

Beilstein Number

MDL Number

PubChem SID

Product Information

Certificate of Analysis

Download link

Linear Formula

(CH3)2CHCH2CH2CH2CH(CH3)CH=CH2

Purity

≥97.0% (GC)

Safety Information

Physical Property

MP Biomedicals

05226353

MP Biomedicals Rare Chemical collection

Sigma Aldrich

40980

Packaging
1 mL in glass bottle

No Data Available

Click here to submit data

Molecule

ID:112873