Molecular formula
C12H16O2

SMILES
CCCC=C1C2=C(CCCC2)C(=O)O1

Fragrance
Herbal	70.85%
Celery	51.36%
Spicy	49.77%
Mint	46.94%
Lactonic	43.97%
Coconut	39.99%
Jasmin	32.4%
Fruity	31.61%
Coumarinic	29.64%
Green	28.77%

 

Flavor
Herbal	65.47%
Celery	37.54%
Spice	30.15%
Minty	28.33%
Spicy	27.25%
Lovage	23.23%
Jasmin	22.6%
Outdoor	22.14%
Fresh	22.03%
Woody	21.37%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
7.74 (neutral)

Molecular weight
192.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
275°C

Flash point

• 150.28 ˚C est.

3-Butylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one is commonly used as an intermediate in organic synthesis and as a fragrance ingredient in perfumery; it may serve as a precursor to other scent compounds. In cosmetics and personal care, it can act as a fragrance component or as a building block for additional aroma chemicals. In household products such as detergents and cleaners, it can be included as an odorant additive to impart a desirable aroma. In industrial manufacturing, it is used as a building block for the synthesis of more complex lactone or aroma-related chemicals. In coatings and inks, it may be evaluated as a fragrance additive to enhance product scent. Note: use is subject to local regulations and formulation limits and should be validated for compatibility with the specific product.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	421.75
methanol	395.29
isopropanol	429.17
water	0.09
ethyl acetate	481.24
n-propanol	478.65
acetone	662.56
n-butanol	501.97
acetonitrile	403.52
DMF	1625.12
toluene	610.33
isobutanol	415.45
1,4-dioxane	832.95
methyl acetate	491.39
THF	951.39
2-butanone	681.36
n-pentanol	341.35
sec-butanol	500.4
n-hexane	37.91
ethylene glycol	72.0
NMP	1071.54
cyclohexane	89.66
DMSO	604.73
n-butyl acetate	544.92
n-octanol	243.59
chloroform	2110.87
n-propyl acetate	358.03
acetic acid	348.79
dichloromethane	1690.37
cyclohexanone	1154.08
propylene glycol	128.4
isopropyl acetate	382.1
DMAc	925.02
2-ethoxyethanol	348.87
isopentanol	466.26
n-heptane	20.37
ethyl formate	367.89
1,2-dichloroethane	1228.88
n-hexanol	415.04
2-methoxyethanol	638.11
isobutyl acetate	265.0
tetrachloromethane	202.53
n-pentyl acetate	426.11
transcutol	1368.74
n-heptanol	212.95
ethylbenzene	284.65
MIBK	396.53
2-propoxyethanol	570.29
tert-butanol	419.88
MTBE	428.2
2-butoxyethanol	369.76
propionic acid	355.19
o-xylene	310.76
formic acid	91.41
diethyl ether	445.34
m-xylene	361.75
p-xylene	342.07
chlorobenzene	933.38
dimethyl carbonate	264.52
n-octane	18.29
formamide	183.65
cyclopentanone	1019.1
2-pentanone	572.6
anisole	487.38
cyclopentyl methyl ether	492.62
gamma-butyrolactone	922.98
1-methoxy-2-propanol	513.17
pyridine	1318.67
3-pentanone	423.81
furfural	976.16
n-dodecane	23.16
diethylene glycol	363.97
diisopropyl ether	142.27
tert-amyl alcohol	409.35
acetylacetone	544.79
n-hexadecane	27.75
acetophenone	473.92
methyl propionate	453.28
isopentyl acetate	544.79
trichloroethylene	2365.41
n-nonanol	212.17
cyclohexanol	525.5
benzyl alcohol	444.99
2-ethylhexanol	239.51
isooctanol	191.58
dipropyl ether	165.31
1,2-dichlorobenzene	771.73
ethyl lactate	187.43
propylene carbonate	624.91
n-methylformamide	536.49
2-pentanol	363.5
n-pentane	42.27
1-propoxy-2-propanol	389.71
1-methoxy-2-propyl acetate	454.41
2-(2-methoxypropoxy) propanol	362.85
mesitylene	220.92
ε-caprolactone	869.7
p-cymene	137.86
epichlorohydrin	1221.55
1,1,1-trichloroethane	851.86
2-aminoethanol	183.88
morpholine-4-carbaldehyde	955.44
sulfolane	904.51
2,2,4-trimethylpentane	31.12
2-methyltetrahydrofuran	707.92
n-hexyl acetate	603.68
isooctane	29.02
2-(2-butoxyethoxy)ethanol	532.18
sec-butyl acetate	269.8
tert-butyl acetate	356.17
decalin	60.34
glycerin	179.14
diglyme	788.81
acrylic acid	322.91
isopropyl myristate	204.69
n-butyric acid	572.2
acetyl acetate	313.7
di(2-ethylhexyl) phthalate	213.41
ethyl propionate	304.41
nitromethane	590.54
1,2-diethoxyethane	477.94
benzonitrile	793.56
trioctyl phosphate	152.24
1-bromopropane	644.52
gamma-valerolactone	1084.22
n-decanol	155.82
triethyl phosphate	150.42
4-methyl-2-pentanol	223.48
propionitrile	500.16
vinylene carbonate	694.76
1,1,2-trichlorotrifluoroethane	734.81
DMS	441.45
cumene	181.91
2-octanol	191.4
2-hexanone	373.81
octyl acetate	269.33
limonene	178.77
1,2-dimethoxyethane	634.24
ethyl orthosilicate	147.84
tributyl phosphate	189.68
diacetone alcohol	390.3
N,N-dimethylaniline	307.98
acrylonitrile	652.7
aniline	651.73
1,3-propanediol	344.27
bromobenzene	1063.36
dibromomethane	1113.95
1,1,2,2-tetrachloroethane	1777.38
2-methyl-cyclohexyl acetate	255.14
tetrabutyl urea	259.0
diisobutyl methanol	135.44
2-phenylethanol	448.78
styrene	404.15
dioctyl adipate	264.41
dimethyl sulfate	330.34
ethyl butyrate	266.05
methyl lactate	256.01
butyl lactate	316.27
diethyl carbonate	219.61
propanediol butyl ether	385.55
triethyl orthoformate	209.31
p-tert-butyltoluene	130.89
methyl 4-tert-butylbenzoate	358.36
morpholine	992.64
tert-butylamine	270.54
n-dodecanol	119.76
dimethoxymethane	630.5
ethylene carbonate	563.1
cyrene	314.03
2-ethoxyethyl acetate	503.4
2-ethylhexyl acetate	429.58
1,2,4-trichlorobenzene	856.28
4-methylpyridine	1376.8
dibutyl ether	277.81
2,6-dimethyl-4-heptanol	135.44
DEF	761.2
dimethyl isosorbide	524.12
tetrachloroethylene	1021.84
eugenol	406.1
triacetin	395.8
span 80	340.77
1,4-butanediol	147.63
1,1-dichloroethane	1083.23
2-methyl-1-pentanol	352.03
methyl formate	371.5
2-methyl-1-butanol	468.29
n-decane	34.25
butyronitrile	576.82
3,7-dimethyl-1-octanol	246.39
1-chlorooctane	193.24
1-chlorotetradecane	83.5
n-nonane	29.98
undecane	27.38
tert-butylcyclohexane	47.3
cyclooctane	31.57
cyclopentanol	465.94
tetrahydropyran	869.87
tert-amyl methyl ether	308.71
2,5,8-trioxanonane	542.96
1-hexene	188.54
2-isopropoxyethanol	277.68
2,2,2-trifluoroethanol	122.27
methyl butyrate	440.01

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