Molecular formula
C5H8

SMILES
CC=CC=C

Safety labels

Fragrance
Green	70.3%
Fruity	48.95%
Gassy	48.69%
Pungent	40.61%
Vegetable	32.69%
Fresh	32.31%
Herbal	31.22%
Sweet	29.51%
Nutty	27.95%
Sharp	26.84%

 

Flavor
Sweet	30.83%
Citrus	27.22%
Green	24.92%
Oriental	20.96%
Pungent	20.86%
Pumpkin	20.4%
Gasoline	19.62%
Tar	19.5%
Nitrile	19.41%
Almond shell	19.32%

 

Odor impact est.
Medium

XLogP3-AA
2.4

pKa est.
8.56 (weak base)

Molecular weight
68.12 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
46°C

Flash point

• -39.19 ˚C est.

• Penta-1,3-diene
• Piperylene
• Pentadiene
• 1,3-PENTADIENE (Z)
• CH2=CHCH=CHCH3
• DTXSID3027160
• NS00073895

Penta-1,3-diene is a five-carbon conjugated diene primarily used as a monomer and building block in organic synthesis; in the polymer industry, it may serve as a monomer for specialized polymers and elastomers or copolymers. It is also employed as a feedstock for constructing cyclic compounds via Diels–Alder reactions, enabling the synthesis of intermediates and high-value products. In coatings and adhesives, it can provide a foundational monomer for solvent-borne or reactive resin systems, contributing to film formation and adhesion. Additionally, it may be explored for electronics-related materials based on conjugated polymers and conductive platforms, subject to applicable regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1384.71
methanol	907.96
isopropanol	944.44
water	0.18
ethyl acetate	1593.51
n-propanol	1146.77
acetone	1377.62
n-butanol	1363.48
acetonitrile	931.64
DMF	602.6
toluene	712.56
isobutanol	752.71
1,4-dioxane	1827.09
methyl acetate	949.25
THF	3314.35
2-butanone	1306.16
n-pentanol	944.51
sec-butanol	1019.63
n-hexane	1513.77
ethylene glycol	85.83
NMP	841.2
cyclohexane	1410.8
DMSO	954.53
n-butyl acetate	3410.61
n-octanol	478.18
chloroform	1997.07
n-propyl acetate	901.16
acetic acid	646.09
dichloromethane	1857.84
cyclohexanone	1668.18
propylene glycol	144.31
isopropyl acetate	817.75
DMAc	429.68
2-ethoxyethanol	571.94
isopentanol	988.5
n-heptane	1844.37
ethyl formate	573.62
1,2-dichloroethane	1240.68
n-hexanol	2250.98
2-methoxyethanol	815.85
isobutyl acetate	498.73
tetrachloromethane	646.57
n-pentyl acetate	691.14
transcutol	1829.12
n-heptanol	519.22
ethylbenzene	314.83
MIBK	654.11
2-propoxyethanol	1635.56
tert-butanol	1078.71
MTBE	1409.14
2-butoxyethanol	557.46
propionic acid	606.85
o-xylene	310.13
formic acid	100.49
diethyl ether	2763.45
m-xylene	382.62
p-xylene	339.72
chlorobenzene	712.58
dimethyl carbonate	156.83
n-octane	362.54
formamide	133.58
cyclopentanone	1575.45
2-pentanone	1421.65
anisole	456.61
cyclopentyl methyl ether	1850.1
gamma-butyrolactone	1206.63
1-methoxy-2-propanol	648.23
pyridine	1230.26
3-pentanone	934.88
furfural	732.07
n-dodecane	155.18
diethylene glycol	516.87
diisopropyl ether	749.72
tert-amyl alcohol	922.49
acetylacetone	796.8
n-hexadecane	170.64
acetophenone	303.11
methyl propionate	746.03
isopentyl acetate	1852.25
trichloroethylene	1468.75
n-nonanol	415.15
cyclohexanol	1167.73
benzyl alcohol	271.97
2-ethylhexanol	1653.06
isooctanol	383.67
dipropyl ether	2837.33
1,2-dichlorobenzene	452.69
ethyl lactate	173.65
propylene carbonate	684.3
n-methylformamide	344.93
2-pentanol	1051.1
n-pentane	1219.56
1-propoxy-2-propanol	1545.28
1-methoxy-2-propyl acetate	1038.98
2-(2-methoxypropoxy) propanol	392.42
mesitylene	243.75
ε-caprolactone	1275.79
p-cymene	393.01
epichlorohydrin	1404.02
1,1,1-trichloroethane	1286.71
2-aminoethanol	232.51
morpholine-4-carbaldehyde	731.06
sulfolane	1006.36
2,2,4-trimethylpentane	262.64
2-methyltetrahydrofuran	3062.38
n-hexyl acetate	808.47
isooctane	259.92
2-(2-butoxyethoxy)ethanol	587.79
sec-butyl acetate	566.01
tert-butyl acetate	778.47
decalin	321.09
glycerin	139.58
diglyme	986.18
acrylic acid	339.15
isopropyl myristate	323.34
n-butyric acid	1159.91
acetyl acetate	587.2
di(2-ethylhexyl) phthalate	187.6
ethyl propionate	655.78
nitromethane	723.2
1,2-diethoxyethane	1989.34
benzonitrile	441.02
trioctyl phosphate	169.55
1-bromopropane	2066.39
gamma-valerolactone	1184.63
n-decanol	329.71
triethyl phosphate	295.7
4-methyl-2-pentanol	465.43
propionitrile	888.25
vinylene carbonate	480.34
1,1,2-trichlorotrifluoroethane	513.24
DMS	327.07
cumene	185.45
2-octanol	367.75
2-hexanone	1041.66
octyl acetate	399.13
limonene	928.87
1,2-dimethoxyethane	1201.09
ethyl orthosilicate	349.75
tributyl phosphate	237.87
diacetone alcohol	579.97
N,N-dimethylaniline	240.7
acrylonitrile	597.37
aniline	561.26
1,3-propanediol	424.31
bromobenzene	787.73
dibromomethane	1834.7
1,1,2,2-tetrachloroethane	1070.67
2-methyl-cyclohexyl acetate	673.04
tetrabutyl urea	288.14
diisobutyl methanol	669.6
2-phenylethanol	568.83
styrene	414.1
dioctyl adipate	319.6
dimethyl sulfate	180.1
ethyl butyrate	1580.53
methyl lactate	172.67
butyl lactate	302.64
diethyl carbonate	628.0
propanediol butyl ether	309.38
triethyl orthoformate	857.45
p-tert-butyltoluene	362.53
methyl 4-tert-butylbenzoate	252.48
morpholine	1926.44
tert-butylamine	922.08
n-dodecanol	276.47
dimethoxymethane	741.72
ethylene carbonate	469.91
cyrene	231.73
2-ethoxyethyl acetate	621.58
2-ethylhexyl acetate	1708.14
1,2,4-trichlorobenzene	457.84
4-methylpyridine	1116.28
dibutyl ether	1416.98
2,6-dimethyl-4-heptanol	669.6
DEF	1027.73
dimethyl isosorbide	717.0
tetrachloroethylene	807.47
eugenol	241.95
triacetin	368.83
span 80	436.38
1,4-butanediol	153.07
1,1-dichloroethane	1473.81
2-methyl-1-pentanol	754.06
methyl formate	248.76
2-methyl-1-butanol	965.72
n-decane	287.43
butyronitrile	1405.68
3,7-dimethyl-1-octanol	571.77
1-chlorooctane	576.62
1-chlorotetradecane	221.31
n-nonane	363.11
undecane	199.72
tert-butylcyclohexane	300.16
cyclooctane	510.73
cyclopentanol	952.91
tetrahydropyran	3116.08
tert-amyl methyl ether	1068.67
2,5,8-trioxanonane	638.0
1-hexene	2289.09
2-isopropoxyethanol	432.79
2,2,2-trifluoroethanol	112.56
methyl butyrate	877.91

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