Molecular formula
C12H14O

SMILES
CCCC(=CC1=CC=CC=C1)C=O

Fragrance
Floral	73.71%
Green	66.69%
Herbal	60.94%
Fruity	58.61%
Sweet	57.01%
Spicy	52.75%
Balsamic	48.87%
Jasmin	40.35%
Cinnamon	40.16%
Oily	34.59%

 

Flavor
Green	47.15%
Herbal	37.69%
Fresh	36.02%
Floral	35.51%
Spicy	32.17%
Balsam	30.85%
Sweet	28.9%
Oily	28.31%
Cinnamon	26.38%
Waxy	26.27%

 

Odor impact est.
High

XLogP3-AA
3.2

pKa est.
7.49 (neutral)

Molecular weight
174.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
264°C

Flash point

• 124.91 ˚C est.

• 2-benzylidene-pentan-1-al
• SCHEMBL20424858

2-Benzylidene-pentan-1-al is primarily used as an intermediate in organic synthesis for fragrance and flavor compounds; it acts as an aroma chemical/odorant in perfumery and cosmetics; it is considered for use in household and cleaning products as a fragrance component; it serves as a building block for specialty plastics and rubber in the polymer industry; and it is explored for the synthesis of other specialty chemicals in industrial manufacturing.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1186.08
methanol	1241.58
isopropanol	743.22
water	0.22
ethyl acetate	1679.12
n-propanol	923.85
acetone	2058.98
n-butanol	893.14
acetonitrile	1491.71
DMF	3095.53
toluene	835.48
isobutanol	652.34
1,4-dioxane	1507.17
methyl acetate	1304.58
THF	1394.29
2-butanone	1549.74
n-pentanol	509.95
sec-butanol	573.95
n-hexane	101.49
ethylene glycol	166.89
NMP	1279.65
cyclohexane	158.69
DMSO	1622.41
n-butyl acetate	1177.55
n-octanol	212.77
chloroform	3177.96
n-propyl acetate	820.52
acetic acid	691.48
dichloromethane	3512.32
cyclohexanone	1895.79
propylene glycol	224.89
isopropyl acetate	723.63
DMAc	1489.35
2-ethoxyethanol	584.18
isopentanol	676.32
n-heptane	62.42
ethyl formate	893.29
1,2-dichloroethane	2823.77
n-hexanol	717.87
2-methoxyethanol	1177.88
isobutyl acetate	450.3
tetrachloromethane	273.42
n-pentyl acetate	387.53
transcutol	2618.25
n-heptanol	216.96
ethylbenzene	372.54
MIBK	595.18
2-propoxyethanol	916.83
tert-butanol	684.84
MTBE	736.38
2-butoxyethanol	408.74
propionic acid	670.52
o-xylene	322.16
formic acid	162.66
diethyl ether	1328.97
m-xylene	407.3
p-xylene	347.63
chlorobenzene	1137.4
dimethyl carbonate	464.59
n-octane	26.87
formamide	402.68
cyclopentanone	1735.74
2-pentanone	1357.06
anisole	740.18
cyclopentyl methyl ether	828.52
gamma-butyrolactone	1601.0
1-methoxy-2-propanol	839.85
pyridine	1907.05
3-pentanone	926.26
furfural	1370.42
n-dodecane	21.64
diethylene glycol	517.95
diisopropyl ether	258.81
tert-amyl alcohol	493.72
acetylacetone	1048.48
n-hexadecane	25.83
acetophenone	626.43
methyl propionate	1164.37
isopentyl acetate	823.76
trichloroethylene	4401.36
n-nonanol	187.12
cyclohexanol	630.03
benzyl alcohol	517.63
2-ethylhexanol	375.3
isooctanol	177.46
dipropyl ether	519.91
1,2-dichlorobenzene	845.22
ethyl lactate	270.85
propylene carbonate	937.91
n-methylformamide	1203.4
2-pentanol	530.37
n-pentane	85.91
1-propoxy-2-propanol	666.66
1-methoxy-2-propyl acetate	709.46
2-(2-methoxypropoxy) propanol	357.37
mesitylene	217.37
ε-caprolactone	1249.5
p-cymene	162.74
epichlorohydrin	2331.47
1,1,1-trichloroethane	1702.43
2-aminoethanol	377.5
morpholine-4-carbaldehyde	1219.3
sulfolane	1390.21
2,2,4-trimethylpentane	35.93
2-methyltetrahydrofuran	1115.95
n-hexyl acetate	541.13
isooctane	35.2
2-(2-butoxyethoxy)ethanol	543.16
sec-butyl acetate	478.48
tert-butyl acetate	580.48
decalin	77.81
glycerin	263.23
diglyme	1150.06
acrylic acid	538.9
isopropyl myristate	195.26
n-butyric acid	1138.68
acetyl acetate	654.15
di(2-ethylhexyl) phthalate	157.91
ethyl propionate	693.82
nitromethane	1607.38
1,2-diethoxyethane	907.15
benzonitrile	861.62
trioctyl phosphate	114.72
1-bromopropane	1426.06
gamma-valerolactone	1709.38
n-decanol	140.05
triethyl phosphate	195.5
4-methyl-2-pentanol	252.21
propionitrile	1124.83
vinylene carbonate	926.15
1,1,2-trichlorotrifluoroethane	1049.66
DMS	492.35
cumene	198.11
2-octanol	142.5
2-hexanone	797.28
octyl acetate	241.72
limonene	244.83
1,2-dimethoxyethane	1183.58
ethyl orthosilicate	190.5
tributyl phosphate	158.98
diacetone alcohol	572.32
N,N-dimethylaniline	364.07
acrylonitrile	1506.15
aniline	818.76
1,3-propanediol	537.19
bromobenzene	1269.13
dibromomethane	2250.32
1,1,2,2-tetrachloroethane	3042.72
2-methyl-cyclohexyl acetate	331.44
tetrabutyl urea	215.34
diisobutyl methanol	188.04
2-phenylethanol	489.24
styrene	586.7
dioctyl adipate	263.15
dimethyl sulfate	525.07
ethyl butyrate	635.38
methyl lactate	358.09
butyl lactate	290.7
diethyl carbonate	399.9
propanediol butyl ether	338.03
triethyl orthoformate	338.68
p-tert-butyltoluene	144.28
methyl 4-tert-butylbenzoate	312.8
morpholine	1769.79
tert-butylamine	441.45
n-dodecanol	105.45
dimethoxymethane	1379.6
ethylene carbonate	782.97
cyrene	280.74
2-ethoxyethyl acetate	551.82
2-ethylhexyl acetate	597.26
1,2,4-trichlorobenzene	914.27
4-methylpyridine	1826.2
dibutyl ether	404.66
2,6-dimethyl-4-heptanol	188.04
DEF	1484.68
dimethyl isosorbide	577.23
tetrachloroethylene	1742.99
eugenol	340.1
triacetin	411.97
span 80	281.79
1,4-butanediol	197.4
1,1-dichloroethane	2432.2
2-methyl-1-pentanol	440.93
methyl formate	830.15
2-methyl-1-butanol	624.29
n-decane	36.1
butyronitrile	1212.28
3,7-dimethyl-1-octanol	235.93
1-chlorooctane	206.56
1-chlorotetradecane	72.58
n-nonane	36.19
undecane	27.07
tert-butylcyclohexane	66.13
cyclooctane	47.68
cyclopentanol	495.91
tetrahydropyran	1676.4
tert-amyl methyl ether	457.83
2,5,8-trioxanonane	655.88
1-hexene	493.59
2-isopropoxyethanol	410.34
2,2,2-trifluoroethanol	191.21
methyl butyrate	1004.73

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