Molecular formula
C12H14O2

SMILES
CCCC=C1C2CC=CC=C2C(=O)O1

Fragrance
Herbal	64.43%
Spicy	63.54%
Celery	42.16%
Green	41.55%
Coconut	37.02%
Mint	32.42%
Lactonic	31.96%
Coumarinic	28.83%
Nutty	26.54%
Warm	24.11%

 

Flavor
Herbal	53.78%
Spice	33.44%
Celery	29.9%
Bitter	26.4%
Spicy	24.79%
Minty	23.33%
Lovage	22.04%
Basil	20.1%
Outdoor	19.75%
Cumin	19.47%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
7.18 (neutral)

Molecular weight
190.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
264°C

Flash point

• 152.13 ˚C est.

• butylidene dihydro-phthalide

Butylidene dihydro-phthalide is used as an aroma chemical and fragrance intermediate in perfumery, contributing specific scent notes to a range of products. It is commonly evaluated for use in cosmetics and personal care products as a fragrance component and may appear in household products such as cleaners and air fresheners for a lasting odor. In industrial manufacturing it serves as an intermediate in the synthesis of additional fragrance compounds, and it can be considered for use in coatings and inks as a fragrance additive where a subtle note is desired.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	238.78
methanol	230.55
isopropanol	193.01
water	0.06
ethyl acetate	278.98
n-propanol	252.04
acetone	346.77
n-butanol	245.89
acetonitrile	236.45
DMF	909.65
toluene	356.72
isobutanol	214.9
1,4-dioxane	459.01
methyl acetate	304.81
THF	548.84
2-butanone	402.84
n-pentanol	182.54
sec-butanol	244.39
n-hexane	12.25
ethylene glycol	49.62
NMP	657.36
cyclohexane	34.01
DMSO	451.14
n-butyl acetate	274.11
n-octanol	100.9
chloroform	1186.05
n-propyl acetate	202.19
acetic acid	179.51
dichloromethane	1081.02
cyclohexanone	580.32
propylene glycol	84.72
isopropyl acetate	211.21
DMAc	600.59
2-ethoxyethanol	217.38
isopentanol	254.63
n-heptane	6.74
ethyl formate	181.79
1,2-dichloroethane	727.67
n-hexanol	213.33
2-methoxyethanol	375.14
isobutyl acetate	148.85
tetrachloromethane	90.97
n-pentyl acetate	180.89
transcutol	1081.56
n-heptanol	93.93
ethylbenzene	156.13
MIBK	223.75
2-propoxyethanol	324.21
tert-butanol	206.83
MTBE	219.11
2-butoxyethanol	188.85
propionic acid	196.59
o-xylene	171.6
formic acid	56.69
diethyl ether	232.66
m-xylene	199.47
p-xylene	179.55
chlorobenzene	472.13
dimethyl carbonate	166.53
n-octane	5.6
formamide	115.21
cyclopentanone	560.46
2-pentanone	318.38
anisole	297.94
cyclopentyl methyl ether	281.34
gamma-butyrolactone	512.18
1-methoxy-2-propanol	313.46
pyridine	738.25
3-pentanone	240.45
furfural	534.44
n-dodecane	8.37
diethylene glycol	250.96
diisopropyl ether	73.08
tert-amyl alcohol	213.62
acetylacetone	315.38
n-hexadecane	10.08
acetophenone	275.76
methyl propionate	295.87
isopentyl acetate	269.68
trichloroethylene	1384.05
n-nonanol	92.39
cyclohexanol	249.59
benzyl alcohol	262.12
2-ethylhexanol	121.85
isooctanol	88.2
dipropyl ether	84.13
1,2-dichlorobenzene	385.96
ethyl lactate	118.62
propylene carbonate	331.33
n-methylformamide	300.69
2-pentanol	183.06
n-pentane	14.96
1-propoxy-2-propanol	218.48
1-methoxy-2-propyl acetate	269.48
2-(2-methoxypropoxy) propanol	235.44
mesitylene	113.44
ε-caprolactone	443.4
p-cymene	71.35
epichlorohydrin	763.19
1,1,1-trichloroethane	446.5
2-aminoethanol	124.29
morpholine-4-carbaldehyde	538.7
sulfolane	555.04
2,2,4-trimethylpentane	14.43
2-methyltetrahydrofuran	405.9
n-hexyl acetate	273.09
isooctane	12.64
2-(2-butoxyethoxy)ethanol	324.39
sec-butyl acetate	158.66
tert-butyl acetate	202.26
decalin	26.7
glycerin	125.06
diglyme	486.42
acrylic acid	188.09
isopropyl myristate	102.02
n-butyric acid	284.14
acetyl acetate	175.55
di(2-ethylhexyl) phthalate	118.24
ethyl propionate	181.97
nitromethane	333.23
1,2-diethoxyethane	269.22
benzonitrile	408.05
trioctyl phosphate	78.79
1-bromopropane	352.88
gamma-valerolactone	595.23
n-decanol	71.06
triethyl phosphate	90.8
4-methyl-2-pentanol	128.24
propionitrile	265.96
vinylene carbonate	361.18
1,1,2-trichlorotrifluoroethane	422.7
DMS	249.73
cumene	96.82
2-octanol	78.26
2-hexanone	218.3
octyl acetate	129.99
limonene	90.08
1,2-dimethoxyethane	361.8
ethyl orthosilicate	83.96
tributyl phosphate	100.85
diacetone alcohol	238.69
N,N-dimethylaniline	173.68
acrylonitrile	373.46
aniline	381.89
1,3-propanediol	191.04
bromobenzene	555.71
dibromomethane	681.01
1,1,2,2-tetrachloroethane	1001.37
2-methyl-cyclohexyl acetate	148.96
tetrabutyl urea	131.91
diisobutyl methanol	73.38
2-phenylethanol	248.64
styrene	216.78
dioctyl adipate	143.89
dimethyl sulfate	219.19
ethyl butyrate	151.42
methyl lactate	161.97
butyl lactate	154.91
diethyl carbonate	129.23
propanediol butyl ether	219.68
triethyl orthoformate	112.24
p-tert-butyltoluene	65.81
methyl 4-tert-butylbenzoate	190.51
morpholine	566.91
tert-butylamine	130.07
n-dodecanol	56.55
dimethoxymethane	399.46
ethylene carbonate	274.87
cyrene	201.98
2-ethoxyethyl acetate	260.77
2-ethylhexyl acetate	210.56
1,2,4-trichlorobenzene	469.58
4-methylpyridine	737.74
dibutyl ether	122.63
2,6-dimethyl-4-heptanol	73.38
DEF	408.32
dimethyl isosorbide	324.35
tetrachloroethylene	507.8
eugenol	226.4
triacetin	218.99
span 80	189.93
1,4-butanediol	84.65
1,1-dichloroethane	598.62
2-methyl-1-pentanol	208.46
methyl formate	205.0
2-methyl-1-butanol	255.8
n-decane	11.48
butyronitrile	276.99
3,7-dimethyl-1-octanol	121.78
1-chlorooctane	76.16
1-chlorotetradecane	35.57
n-nonane	9.47
undecane	9.64
tert-butylcyclohexane	21.02
cyclooctane	11.37
cyclopentanol	235.73
tetrahydropyran	463.88
tert-amyl methyl ether	172.09
2,5,8-trioxanonane	347.96
1-hexene	82.41
2-isopropoxyethanol	177.94
2,2,2-trifluoroethanol	70.68
methyl butyrate	242.34

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