trans-1,3-pentadiene

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Names

[ CAS No. ]:
2004-70-8

[ Name ]:
trans-1,3-pentadiene

[Synonym ]:
propyl 3-pentenoate
trans-penta-1,3-diene
trans-pent-3-enoic acid propyl ester
MFCD00009295
trans-Pent-3-ensaeure-propylester
EINECS 217-909-5
trans-1,3-Pentadiene
3-Pentenoic acid propyl ester
1-methylbuta-1,3-diene
trans-Piperylene
trans-1-methyl-1,3-butadiene

Chemical & Physical Properties

[ Density]:
0.683 g/mL at 25ºC(lit.)

[ Boiling Point ]:
42ºC(lit.)

[ Melting Point ]:
-87ºC(lit.)

[ Molecular Formula ]:
C5H8

[ Molecular Weight ]:
68.11700

[ Flash Point ]:
<−30 °F

[ Exact Mass ]:
68.06260

[ LogP ]:
1.74850

[ Vapour density ]:
2.4 (vs air)

[ Vapour Pressure ]:
380mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.433(lit.)

[ Storage condition ]:
Refrigerator

[ Stability ]:
Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RZ2465000
CHEMICAL NAME :
1,3-Pentadiene, (E)-
CAS REGISTRY NUMBER :
2004-70-8
BEILSTEIN REFERENCE NO. :
1523659
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H8
MOLECULAR WEIGHT :
68.13
WISWESSER LINE NOTATION :
2U2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04179

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H304-H315-H319-H335

[ Precautionary Statements ]:
P210-P280-P301 + P310-P331-P337 + P313-P403 + P235

[ Hazard Codes ]:
F: Flammable;Xn: Harmful;

[ Risk Phrases ]:
R11

[ Safety Phrases ]:
S16;S23;S26;S36;S62

[ RIDADR ]:
UN 3295 3

[ WGK Germany ]:
3

[ RTECS ]:
RZ2465000

[ Packaging Group ]:
I

[ Hazard Class ]:
3.1

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • cis-1,3-pentadiene
  • (1S,4R,7S)-1-methyl-1,3,3a,4,7,7a-hexahydro-4,7-methanobenzo[c]thiophene 2,2-dioxide
  • Pent-1-ene
  • vinylcyclopropane
  • Bis(pinacolato)diboron
  • Crotonaldehyde
  • Methyltriphenylphosphonium bromide
  • rac-1,3-dimethyl-3-acetoxyprop-1-ene
  • 2-Methyltetrahydrofuran

DownStream

  • 7-Methyl-1-indanone
  • cis-1,3-pentadiene
  • 1,1,1-Trifluoro-3-iodopropane
  • 4-chloropent-2-ene
  • 4-(2,6-dimethylcyclohex-3-en-1-yl)-4-hydroxybutan-2-one
  • [(E)-prop-1-enyl]cyclopropane
  • tris(dimethylamino)borane

Related Compounds

  • trans-1,3-pentadiene
  • trans-1,3-Dichlor-1,3-dimethyl-cyclobutan
  • trans-1-[3-(4-fluorophenyl)indan-1-yl]piperazine
  • trans-1-(3-Methoxy-2-piperidinyl)-2-propanone Hydrobromide
  • trans-1,3-Diphenyl-2-propen-1-ol
  • trans-1,3-bis(1',1',3',3'-tetramethyl-1',3'-dihydroisoindolin-2'-yloxyl)cyclopentane
  • 1-(2-Fluoro-benzyl)-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid
  • 2-(3-Bromo-4-fluorophenyl)-2,2-difluoroethan-1-amine
  • 2,2-Difluoro-2-(5-methylfuran-2-yl)ethan-1-amine
  • 2-(2,5-Dimethoxyphenyl)-2,2-difluoroethan-1-amine
  • 2,2-Difluoro-2-(1,3-thiazol-2-yl)ethan-1-amine
  • Propyl 2,4-bis(1-methylethyl)benzoate
  • 2,2-Difluoro-2-(furan-2-yl)ethan-1-amine
  • 2,2-Difluoro-2-(4-propan-2-yloxyphenyl)ethanamine
  • 2,2-Difluoro-2-(thiophen-3-yl)ethan-1-amine
  • Methyl 2-(3-(2,2-dibromovinyl)-4-hydroxyphenyl)-2-methylpropanoate