Molecular formula
C10H14O2

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

Fragrance
Sweet	63.75%
Woody	56.64%
Tobacco	47.81%
Caramellic	45.92%
Mint	42.78%
Spicy	42.09%
Camphoreous	41.2%
Phenolic	39.48%
Burnt	36.08%
Dry	35.39%

 

Flavor
Tobacco	48.96%
Woody	48.48%
Phenolic	44.61%
Minty	39.14%
Sweet	38.99%
Spicy	33.46%
Dry	31.33%
Smoky	29.6%
Herbal	29.34%
Camphor	29.01%

 

Odor impact est.
High

XLogP3-AA
1.6

pKa est.
9.07 (weak base)

Molecular weight
166.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
296°C

Flash point

• 106.61 ˚C est.

• LTFSHRILVMNKDN-UHFFFAOYSA-N
• 2-hydroxy-3,5,5-trimethyl-4-methylenecyclohex-2-en-1-one

2-Hydroxy-3,5,5-trimethyl-4-methylenecyclohex-2-en-1-one is used as a fragrance ingredient and an intermediate in fragrance chemistry, supplying aroma profiles for new formulas and sometimes serving as a scent fixative. It is also considered as an odorant additive for household care products to enhance fragrance presence. In coatings and inks, the compound may be employed to add aroma or as a component of fragrance-release systems. As a synthetic building block, it can participate in the production of plastics and polymers to impart or enable specific scent characteristics, or to enable the preparation of more complex aroma-related compounds. Its use is typically governed by formulation requirements and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	335.39
methanol	485.65
isopropanol	250.09
water	7.79
ethyl acetate	193.6
n-propanol	265.65
acetone	251.25
n-butanol	203.28
acetonitrile	241.95
DMF	375.34
toluene	83.74
isobutanol	147.64
1,4-dioxane	674.51
methyl acetate	196.38
THF	980.51
2-butanone	214.36
n-pentanol	119.02
sec-butanol	160.17
n-hexane	12.39
ethylene glycol	93.82
NMP	178.74
cyclohexane	11.75
DMSO	348.26
n-butyl acetate	136.99
n-octanol	99.13
chloroform	334.64
n-propyl acetate	90.11
acetic acid	154.5
dichloromethane	290.39
cyclohexanone	223.37
propylene glycol	75.45
isopropyl acetate	121.08
DMAc	147.55
2-ethoxyethanol	228.41
isopentanol	142.36
n-heptane	12.54
ethyl formate	141.64
1,2-dichloroethane	232.89
n-hexanol	226.16
2-methoxyethanol	435.38
isobutyl acetate	55.69
tetrachloromethane	75.18
n-pentyl acetate	90.8
transcutol	327.19
n-heptanol	115.01
ethylbenzene	56.77
MIBK	130.46
2-propoxyethanol	368.47
tert-butanol	297.96
MTBE	187.24
2-butoxyethanol	180.47
propionic acid	121.28
o-xylene	61.12
formic acid	136.88
diethyl ether	239.44
m-xylene	79.28
p-xylene	66.65
chlorobenzene	114.17
dimethyl carbonate	76.8
n-octane	8.37
formamide	185.93
cyclopentanone	377.57
2-pentanone	188.62
anisole	130.73
cyclopentyl methyl ether	242.65
gamma-butyrolactone	422.64
1-methoxy-2-propanol	329.24
pyridine	213.56
3-pentanone	123.25
furfural	271.31
n-dodecane	5.92
diethylene glycol	276.22
diisopropyl ether	63.3
tert-amyl alcohol	185.83
acetylacetone	183.54
n-hexadecane	6.74
acetophenone	90.8
methyl propionate	155.82
isopentyl acetate	119.07
trichloroethylene	339.41
n-nonanol	85.21
cyclohexanol	120.33
benzyl alcohol	93.78
2-ethylhexanol	92.22
isooctanol	81.89
dipropyl ether	95.73
1,2-dichlorobenzene	96.49
ethyl lactate	53.4
propylene carbonate	154.96
n-methylformamide	259.6
2-pentanol	129.93
n-pentane	13.09
1-propoxy-2-propanol	208.55
1-methoxy-2-propyl acetate	152.64
2-(2-methoxypropoxy) propanol	108.77
mesitylene	50.54
ε-caprolactone	186.54
p-cymene	40.59
epichlorohydrin	473.44
1,1,1-trichloroethane	199.74
2-aminoethanol	155.71
morpholine-4-carbaldehyde	289.14
sulfolane	331.11
2,2,4-trimethylpentane	10.11
2-methyltetrahydrofuran	367.98
n-hexyl acetate	126.21
isooctane	11.66
2-(2-butoxyethoxy)ethanol	172.28
sec-butyl acetate	65.45
tert-butyl acetate	148.76
decalin	11.63
glycerin	119.57
diglyme	276.07
acrylic acid	94.96
isopropyl myristate	48.76
n-butyric acid	162.27
acetyl acetate	91.82
di(2-ethylhexyl) phthalate	45.84
ethyl propionate	87.91
nitromethane	298.03
1,2-diethoxyethane	140.37
benzonitrile	104.46
trioctyl phosphate	41.36
1-bromopropane	136.98
gamma-valerolactone	428.95
n-decanol	61.17
triethyl phosphate	43.88
4-methyl-2-pentanol	90.35
propionitrile	187.79
vinylene carbonate	139.88
1,1,2-trichlorotrifluoroethane	173.89
DMS	89.55
cumene	44.11
2-octanol	78.66
2-hexanone	107.36
octyl acetate	64.5
limonene	50.64
1,2-dimethoxyethane	332.0
ethyl orthosilicate	44.21
tributyl phosphate	41.99
diacetone alcohol	187.41
N,N-dimethylaniline	83.09
acrylonitrile	198.92
aniline	115.54
1,3-propanediol	234.01
bromobenzene	99.56
dibromomethane	205.49
1,1,2,2-tetrachloroethane	241.5
2-methyl-cyclohexyl acetate	75.33
tetrabutyl urea	53.97
diisobutyl methanol	59.49
2-phenylethanol	143.51
styrene	54.45
dioctyl adipate	55.89
dimethyl sulfate	116.93
ethyl butyrate	83.04
methyl lactate	80.42
butyl lactate	68.47
diethyl carbonate	52.34
propanediol butyl ether	119.66
triethyl orthoformate	57.8
p-tert-butyltoluene	45.07
methyl 4-tert-butylbenzoate	110.09
morpholine	589.19
tert-butylamine	157.72
n-dodecanol	43.42
dimethoxymethane	347.08
ethylene carbonate	120.17
cyrene	104.69
2-ethoxyethyl acetate	119.51
2-ethylhexyl acetate	85.05
1,2,4-trichlorobenzene	102.22
4-methylpyridine	185.09
dibutyl ether	67.95
2,6-dimethyl-4-heptanol	59.49
DEF	133.23
dimethyl isosorbide	196.03
tetrachloroethylene	178.16
eugenol	112.79
triacetin	75.35
span 80	97.38
1,4-butanediol	79.99
1,1-dichloroethane	229.15
2-methyl-1-pentanol	91.54
methyl formate	218.49
2-methyl-1-butanol	120.25
n-decane	11.28
butyronitrile	184.2
3,7-dimethyl-1-octanol	79.07
1-chlorooctane	50.34
1-chlorotetradecane	17.92
n-nonane	10.28
undecane	7.95
tert-butylcyclohexane	14.44
cyclooctane	6.05
cyclopentanol	176.21
tetrahydropyran	419.37
tert-amyl methyl ether	122.68
2,5,8-trioxanonane	172.73
1-hexene	52.03
2-isopropoxyethanol	148.23
2,2,2-trifluoroethanol	85.58
methyl butyrate	102.72

Scent© AI