Molecular formula
C13H13NO

SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CN2

Fragrance
Caramellic	36.92%
Roasted	36.21%
Burnt	34.82%
Nutty	30.85%
Cooked	27.58%
Fruity	27.15%
Savory	25.41%
Popcorn	23.87%
Honey	23.24%
Meaty	22.82%

 

Flavor
Bitter	36.28%
Balsam	29.92%
Fruity	25.01%
Honey	24.92%
Odorless	23.72%
Mild	23.26%
Chocolate	22.07%
Valerian	21.72%
Nitrile	20.84%
Orange flower	20.47%

 

Odor impact est.
Low

XLogP3-AA
2.6

pKa est.
6.96 (neutral)

Molecular weight
199.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
358°C

Flash point

• 173.7 ˚C est.

• Dihydrocinnamoylpyrrol
• SCHEMBL9772451

Dihydrocinnamoylpyrrol is considered a chemical intermediate with fragrance-related utility, and may be used as an aroma ingredient or odorant, potentially functioning as a fixative in perfumes and personal care products; it is commonly evaluated as a building block for the synthesis of aroma compounds in the fragrance industry and may appear in household products such as cleaners and air fresheners; in the polymers/plastics and coatings/inks sectors, it can serve as a precursor or additive related to fragrance to impart or adjust odor in materials. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	75.11
methanol	159.24
isopropanol	37.15
water	0.55
ethyl acetate	96.86
n-propanol	54.44
acetone	130.59
n-butanol	49.09
acetonitrile	64.09
DMF	308.41
toluene	16.03
isobutanol	34.09
1,4-dioxane	126.64
methyl acetate	93.03
THF	167.93
2-butanone	110.68
n-pentanol	48.74
sec-butanol	35.67
n-hexane	1.06
ethylene glycol	43.0
NMP	90.16
cyclohexane	0.73
DMSO	305.34
n-butyl acetate	55.31
n-octanol	10.97
chloroform	170.23
n-propyl acetate	64.91
acetic acid	124.95
dichloromethane	167.42
cyclohexanone	99.96
propylene glycol	46.74
isopropyl acetate	55.61
DMAc	350.34
2-ethoxyethanol	136.1
isopentanol	54.11
n-heptane	1.06
ethyl formate	55.19
1,2-dichloroethane	129.61
n-hexanol	33.99
2-methoxyethanol	196.44
isobutyl acetate	51.55
tetrachloromethane	7.35
n-pentyl acetate	27.39
transcutol	796.19
n-heptanol	15.82
ethylbenzene	14.5
MIBK	61.57
2-propoxyethanol	99.23
tert-butanol	55.89
MTBE	52.59
2-butoxyethanol	56.2
propionic acid	65.48
o-xylene	13.57
formic acid	85.55
diethyl ether	63.39
m-xylene	13.6
p-xylene	18.86
chlorobenzene	42.76
dimethyl carbonate	63.68
n-octane	0.54
formamide	179.42
cyclopentanone	131.54
2-pentanone	78.44
anisole	70.72
cyclopentyl methyl ether	44.42
gamma-butyrolactone	162.34
1-methoxy-2-propanol	127.47
pyridine	124.54
3-pentanone	65.78
furfural	162.59
n-dodecane	0.71
diethylene glycol	107.51
diisopropyl ether	14.07
tert-amyl alcohol	49.05
acetylacetone	134.16
n-hexadecane	0.82
acetophenone	68.91
methyl propionate	85.05
isopentyl acetate	59.13
trichloroethylene	272.8
n-nonanol	12.31
cyclohexanol	25.35
benzyl alcohol	58.5
2-ethylhexanol	21.72
isooctanol	16.47
dipropyl ether	25.54
1,2-dichlorobenzene	48.55
ethyl lactate	42.44
propylene carbonate	89.84
n-methylformamide	126.16
2-pentanol	29.43
n-pentane	0.67
1-propoxy-2-propanol	61.82
1-methoxy-2-propyl acetate	79.44
2-(2-methoxypropoxy) propanol	86.97
mesitylene	9.23
ε-caprolactone	86.05
p-cymene	10.74
epichlorohydrin	235.51
1,1,1-trichloroethane	53.26
2-aminoethanol	72.17
morpholine-4-carbaldehyde	158.2
sulfolane	167.57
2,2,4-trimethylpentane	1.9
2-methyltetrahydrofuran	66.45
n-hexyl acetate	36.38
isooctane	1.4
2-(2-butoxyethoxy)ethanol	123.9
sec-butyl acetate	48.98
tert-butyl acetate	62.01
decalin	2.04
glycerin	87.1
diglyme	234.66
acrylic acid	78.56
isopropyl myristate	18.22
n-butyric acid	89.87
acetyl acetate	60.52
di(2-ethylhexyl) phthalate	25.16
ethyl propionate	57.05
nitromethane	276.4
1,2-diethoxyethane	120.34
benzonitrile	56.07
trioctyl phosphate	13.58
1-bromopropane	31.18
gamma-valerolactone	181.66
n-decanol	10.04
triethyl phosphate	30.15
4-methyl-2-pentanol	26.71
propionitrile	55.99
vinylene carbonate	88.4
1,1,2-trichlorotrifluoroethane	150.9
DMS	64.99
cumene	12.57
2-octanol	8.99
2-hexanone	62.59
octyl acetate	21.04
limonene	13.92
1,2-dimethoxyethane	198.15
ethyl orthosilicate	28.79
tributyl phosphate	20.34
diacetone alcohol	87.3
N,N-dimethylaniline	42.27
acrylonitrile	96.64
aniline	40.19
1,3-propanediol	87.78
bromobenzene	36.15
dibromomethane	69.25
1,1,2,2-tetrachloroethane	176.4
2-methyl-cyclohexyl acetate	43.01
tetrabutyl urea	27.13
diisobutyl methanol	16.52
2-phenylethanol	45.34
styrene	20.7
dioctyl adipate	33.31
dimethyl sulfate	102.0
ethyl butyrate	47.48
methyl lactate	60.06
butyl lactate	34.87
diethyl carbonate	41.06
propanediol butyl ether	57.22
triethyl orthoformate	39.08
p-tert-butyltoluene	10.15
methyl 4-tert-butylbenzoate	52.89
morpholine	129.43
tert-butylamine	26.6
n-dodecanol	8.16
dimethoxymethane	181.34
ethylene carbonate	67.17
cyrene	72.3
2-ethoxyethyl acetate	73.89
2-ethylhexyl acetate	42.21
1,2,4-trichlorobenzene	59.87
4-methylpyridine	75.67
dibutyl ether	22.41
2,6-dimethyl-4-heptanol	16.52
DEF	99.56
dimethyl isosorbide	116.69
tetrachloroethylene	97.0
eugenol	64.77
triacetin	69.43
span 80	50.52
1,4-butanediol	45.02
1,1-dichloroethane	72.35
2-methyl-1-pentanol	53.4
methyl formate	93.59
2-methyl-1-butanol	44.25
n-decane	0.96
butyronitrile	46.81
3,7-dimethyl-1-octanol	19.17
1-chlorooctane	6.51
1-chlorotetradecane	3.41
n-nonane	0.74
undecane	0.8
tert-butylcyclohexane	2.36
cyclooctane	0.39
cyclopentanol	25.05
tetrahydropyran	63.47
tert-amyl methyl ether	41.45
2,5,8-trioxanonane	153.33
1-hexene	9.75
2-isopropoxyethanol	89.72
2,2,2-trifluoroethanol	50.21
methyl butyrate	75.18

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