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
methyl N-{[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}-beta-alaninate
5-chloro-1-(2-methoxyethyl)-N-(3-pyridylmethyl)-1H-indole-2-carboxamide
N-[3-(4-methoxybenzyl)-1H-1,2,4-triazol-5-yl]-4-(1H-pyrazol-1-yl)butanamide
1-(2-methoxyethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-6-carboxamide
N-{1-[3-(dimethylamino)propyl]-1H-benzimidazol-5-yl}-2-(1-methyl-1H-indol-3-yl)acetamide
Methyl 2-{1-[3-(2-pyrimidinylamino)benzoyl]-4-piperidyl}acetate
2-(4-chloro-1H-indol-1-yl)-N-(4H-1,2,4-triazol-3-yl)acetamide
N-[2-(4-pyridyl)ethyl]-3-(2-pyrimidinylamino)benzamide
4-(2-isopropyl-2H-1,2,3,4-tetraazol-5-yl)-N-[2-(4-pyridyl)ethyl]benzamide
(2-Phenylmorpholino)[3-(2-pyrimidinylamino)phenyl]methanone

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