CAS 504-60-9|CAS 2004-70-8|Penta-1,3-diene|(3E)-penta-1,3-diene|1,3-pentadiene (E)|Piperylene|1,3-戊二烯，顺反异构体混合物|1,3-Pentadiene, mixture of cis and trans|trans-Piperylene|反戊间二稀|1,3-戊...

InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+

PMJHHCWVYXUKFD-SNAWJCMRSA-N

LogD (pH = 7.4)

2.02

LogD (pH = 5.5)

2.02

Log P

2.02

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Polar Surface Area

0.00

Polarizability

8.79

Molar Refractivity

25.97

LOG S

-1.88

Penta-1,3-dienePiperylene1,3-戊二烯，顺反异构体混合物1,3-Pentadiene, mixture of cis and transtrans-Piperylene反戊间二稀1,3-戊二烯trans-1,3-Pentadiene反-1,3-戊二烯戊间二稀1,3-PentadienePiperylenepiperylene(E)-1,3-pentadiene(E)-1,3-pentadienetrans-Penta-1,3-dienetrans-1,3-pentadienetrans-piperylene(E)-CH2=CHCH=CHCH3trans-1-Methylbutadiene

(3E)-penta-1,3-diene

IUPAC Traditional name

1,3-pentadiene (E) piperylene

PubMed Citation Links

R11 36 37 38

11-65

11-36/37/38-65

S16 26 36 37 39

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P49856

Other Notes
Remainder cyclopentene

111805

Packaging
1, 5 g in ampule
250 mg in ampule

CHEBI:74165

An alkadiene consisting of pentane with the two double bonds located at positions 1 and 3.

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC name

(3E)-penta-1,3-diene

IUPAC Traditional name

1,3-pentadiene (E) piperylene

Registration numbers

Wikipedia Title

EC Number

CAS Number

PubChem CID

PubChem SID

248985762484704324887020162223303163626690

Beilstein Number

MDL Number

SureChEMBL Database

Rhea Database

ACToR Database

41050-31-12004-70-868308-15-61574-41-0504-60-9

CompTox Database

DTXSID50858710

PubMed Citation Links

201211221153509018039817

Reaxys Registry

CHEBI ID

NMRShiftDB Database

Molecule Details

P49856

Other Notes
Remainder cyclopentene

111805

Packaging
1, 5 g in ampule
250 mg in ampule

An alkadiene consisting of pentane with the two double bonds located at positions 1 and 3.

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

16-23-24/25-62

16-23-26-36-62

RTECS

RZ2464000

RZ2465000

UN Number

3295

1993

Packing Group

GHS Pictograms

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

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

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

MSDS Link

Download link

Hazard Class

Explode Limits

7 %

European Hazard Symbols

Flammable (F)

Harmful (Xn)

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

German water hazard class

RID/ADR

UN 3295 3/PG 2

UN 1993 3/PG 2

GHS Hazard statements

H225-H304

H225-H304-H315-H319-H335

GHS Signal Word

Danger

GHS Precautionary statements

P210-P301+P310-P331

P210-P261-P301+P310-P305+P351+P338-P331

Storage Temperature

2-8°C

Impurities

≤2% cis-1,3-pentadiene

Molecule

ID:129001