Molecular formula
C11H10O2

SMILES
CCC=C1C2=CC=CC=C2C(=O)O1

Fragrance
Herbal	78.03%
Sweet	73.08%
Spicy	65.34%
Phenolic	50.72%
Coumarinic	50.52%
Hay	42.79%
Celery	42.3%
Green	40.13%
Coconut	39.48%
Mint	39.38%

 

Flavor
Herbal	46.39%
Bitter	31.3%
Celery	30.02%
Minty	27.73%
Lovage	22.82%
Spice	21.06%
Basil	19.85%
Tonka	19.21%
Outdoor	18.98%
Leaves	18.74%

 

Odor impact est.
High

XLogP3-AA
2.6

pKa est.
6.78 (neutral)

Molecular weight
174.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
295°C

Flash point

• 144.94 ˚C est.

• Propylidene phthalide
• 3-propylidene-1,3-dihydro-2-benzofuran-1-one
• 3-propylidene-2-benzofuran-1-one
• DTXSID7025972
• (3Z)-3-propylidene-1,3-dihydro-2-benzofuran-1-one
• SCHEMBL317445
• AKOS030229038
• DB-043953
• NS00100392

3-Propylidene-2-benzofuran-1-one (CAS number: ) is used primarily as an intermediate in organic synthesis, serving as a building block for fragrance compounds and other specialty chemicals; it is commonly evaluated for pharmaceutical intermediate applications; it can serve as a building block in polymers and plastics chemistry, enabling synthesis of functional monomers or cross-linking agents; in coatings and inks, it may function as a reactive intermediate or additive in formulated products; it may also appear in cosmetics, personal care, and household formulations as a fragrance-related component, subject to formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	139.05
methanol	134.86
isopropanol	110.46
water	0.19
ethyl acetate	183.11
n-propanol	126.36
acetone	299.89
n-butanol	126.67
acetonitrile	195.87
DMF	1019.58
toluene	176.48
isobutanol	102.0
1,4-dioxane	312.71
methyl acetate	222.79
THF	378.12
2-butanone	246.44
n-pentanol	103.22
sec-butanol	118.2
n-hexane	11.34
ethylene glycol	52.3
NMP	628.67
cyclohexane	25.31
DMSO	403.18
n-butyl acetate	167.22
n-octanol	126.37
chloroform	845.34
n-propyl acetate	140.73
acetic acid	152.2
dichloromethane	813.99
cyclohexanone	386.68
propylene glycol	62.39
isopropyl acetate	124.98
DMAc	490.37
2-ethoxyethanol	148.7
isopentanol	119.69
n-heptane	13.02
ethyl formate	182.67
1,2-dichloroethane	544.08
n-hexanol	123.42
2-methoxyethanol	259.75
isobutyl acetate	92.34
tetrachloromethane	87.1
n-pentyl acetate	157.24
transcutol	404.1
n-heptanol	93.04
ethylbenzene	111.83
MIBK	133.18
2-propoxyethanol	205.92
tert-butanol	126.96
MTBE	111.81
2-butoxyethanol	150.17
propionic acid	150.72
o-xylene	115.76
formic acid	45.65
diethyl ether	120.79
m-xylene	133.98
p-xylene	128.59
chlorobenzene	333.05
dimethyl carbonate	184.3
n-octane	12.62
formamide	116.35
cyclopentanone	458.51
2-pentanone	198.01
anisole	206.04
cyclopentyl methyl ether	173.1
gamma-butyrolactone	490.66
1-methoxy-2-propanol	205.55
pyridine	461.32
3-pentanone	153.6
furfural	514.53
n-dodecane	18.5
diethylene glycol	177.14
diisopropyl ether	45.02
tert-amyl alcohol	121.69
acetylacetone	272.1
n-hexadecane	21.47
acetophenone	222.61
methyl propionate	205.19
isopentyl acetate	150.47
trichloroethylene	1065.45
n-nonanol	112.19
cyclohexanol	139.73
benzyl alcohol	189.64
2-ethylhexanol	86.71
isooctanol	80.01
dipropyl ether	72.49
1,2-dichlorobenzene	316.71
ethyl lactate	102.49
propylene carbonate	320.77
n-methylformamide	307.21
2-pentanol	91.04
n-pentane	12.34
1-propoxy-2-propanol	142.77
1-methoxy-2-propyl acetate	172.51
2-(2-methoxypropoxy) propanol	177.14
mesitylene	84.2
ε-caprolactone	316.81
p-cymene	69.39
epichlorohydrin	544.34
1,1,1-trichloroethane	361.29
2-aminoethanol	88.36
morpholine-4-carbaldehyde	480.03
sulfolane	564.79
2,2,4-trimethylpentane	11.37
2-methyltetrahydrofuran	255.66
n-hexyl acetate	253.39
isooctane	10.6
2-(2-butoxyethoxy)ethanol	224.02
sec-butyl acetate	97.28
tert-butyl acetate	129.95
decalin	23.0
glycerin	94.89
diglyme	356.84
acrylic acid	173.13
isopropyl myristate	105.35
n-butyric acid	182.25
acetyl acetate	141.36
di(2-ethylhexyl) phthalate	109.03
ethyl propionate	135.31
nitromethane	327.97
1,2-diethoxyethane	160.21
benzonitrile	308.93
trioctyl phosphate	87.91
1-bromopropane	221.05
gamma-valerolactone	492.84
n-decanol	89.95
triethyl phosphate	83.85
4-methyl-2-pentanol	66.66
propionitrile	176.41
vinylene carbonate	347.33
1,1,2-trichlorotrifluoroethane	346.1
DMS	218.51
cumene	74.91
2-octanol	85.66
2-hexanone	145.75
octyl acetate	138.33
limonene	84.08
1,2-dimethoxyethane	283.74
ethyl orthosilicate	73.23
tributyl phosphate	100.09
diacetone alcohol	167.59
N,N-dimethylaniline	140.91
acrylonitrile	286.25
aniline	208.55
1,3-propanediol	122.51
bromobenzene	367.58
dibromomethane	486.47
1,1,2,2-tetrachloroethane	696.91
2-methyl-cyclohexyl acetate	121.25
tetrabutyl urea	142.12
diisobutyl methanol	57.13
2-phenylethanol	177.33
styrene	150.51
dioctyl adipate	139.85
dimethyl sulfate	275.72
ethyl butyrate	120.64
methyl lactate	144.91
butyl lactate	127.53
diethyl carbonate	105.31
propanediol butyl ether	161.7
triethyl orthoformate	89.25
p-tert-butyltoluene	65.75
methyl 4-tert-butylbenzoate	190.04
morpholine	319.79
tert-butylamine	84.03
n-dodecanol	73.86
dimethoxymethane	336.65
ethylene carbonate	259.97
cyrene	182.48
2-ethoxyethyl acetate	198.43
2-ethylhexyl acetate	124.41
1,2,4-trichlorobenzene	351.19
4-methylpyridine	416.77
dibutyl ether	116.37
2,6-dimethyl-4-heptanol	57.13
DEF	292.49
dimethyl isosorbide	265.52
tetrachloroethylene	430.63
eugenol	216.16
triacetin	208.89
span 80	159.37
1,4-butanediol	67.9
1,1-dichloroethane	399.27
2-methyl-1-pentanol	107.37
methyl formate	253.68
2-methyl-1-butanol	115.87
n-decane	24.58
butyronitrile	180.4
3,7-dimethyl-1-octanol	105.45
1-chlorooctane	105.04
1-chlorotetradecane	53.34
n-nonane	22.26
undecane	20.95
tert-butylcyclohexane	19.55
cyclooctane	11.7
cyclopentanol	156.91
tetrahydropyran	228.23
tert-amyl methyl ether	97.23
2,5,8-trioxanonane	283.4
1-hexene	53.25
2-isopropoxyethanol	114.35
2,2,2-trifluoroethanol	80.13
methyl butyrate	194.24

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