Molecular formula
C13H16O

SMILES
CC1C(=O)CC2=CC=CC=C2C1(C)C

Fragrance
Woody	62.76%
Tobacco	45.03%
Musk	44.69%
Dry	41.39%
Amber	40.64%
Animal	38.56%
Camphoreous	37.62%
Herbal	34.81%
Cedar	33.35%
Leathery	33.23%

 

Flavor
Woody	48.74%
Herbal	47.87%
Camphor	38.39%
Minty	36.34%
Bitter	34.75%
Phenolic	30.35%
Medicinal	25.96%
Tobacco	25.94%
Spicy	25.66%
Spice	24.53%

 

Odor impact est.
High

XLogP3-AA
3.0

pKa est.
7.4 (neutral)

Molecular weight
188.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
300°C

Flash point

• 113.79 ˚C est.

• SCHEMBL15041794

3,4,4-Trimethyl-1,3-dihydronaphthalen-2-one is considered an odorant and fragrance ingredient for perfumery, potentially serving as a fragrance note or light fixative in fragrance formulations; it may be used in cosmetics and personal care formulations to provide scent; in household products and cleaners it can impart a pleasant aroma; it can function as an intermediate in fragrance synthesis in industrial manufacturing; and it may be used as an odorant additive in coatings and inks to impart fragrance characteristics.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	232.31
methanol	280.22
isopropanol	172.96
water	4.3
ethyl acetate	471.06
n-propanol	218.07
acetone	587.89
n-butanol	178.76
acetonitrile	786.67
DMF	910.16
toluene	526.53
isobutanol	145.21
1,4-dioxane	1331.22
methyl acetate	526.67
THF	1171.47
2-butanone	492.46
n-pentanol	112.87
sec-butanol	130.41
n-hexane	44.3
ethylene glycol	55.4
NMP	704.36
cyclohexane	114.84
DMSO	339.57
n-butyl acetate	398.9
n-octanol	131.83
chloroform	1847.86
n-propyl acetate	280.42
acetic acid	190.69
dichloromethane	1844.43
cyclohexanone	954.37
propylene glycol	48.7
isopropyl acetate	261.68
DMAc	473.96
2-ethoxyethanol	173.37
isopentanol	134.15
n-heptane	58.59
ethyl formate	436.99
1,2-dichloroethane	1008.4
n-hexanol	247.22
2-methoxyethanol	332.81
isobutyl acetate	186.39
tetrachloromethane	327.84
n-pentyl acetate	236.26
transcutol	458.41
n-heptanol	125.58
ethylbenzene	259.56
MIBK	244.29
2-propoxyethanol	378.58
tert-butanol	192.9
MTBE	229.62
2-butoxyethanol	190.63
propionic acid	219.01
o-xylene	304.56
formic acid	75.1
diethyl ether	400.86
m-xylene	331.0
p-xylene	329.34
chlorobenzene	645.2
dimethyl carbonate	237.62
n-octane	30.44
formamide	187.21
cyclopentanone	1085.52
2-pentanone	423.96
anisole	431.35
cyclopentyl methyl ether	493.8
gamma-butyrolactone	1174.19
1-methoxy-2-propanol	232.72
pyridine	948.04
3-pentanone	379.22
furfural	868.57
n-dodecane	22.94
diethylene glycol	226.18
diisopropyl ether	121.26
tert-amyl alcohol	133.95
acetylacetone	453.36
n-hexadecane	27.72
acetophenone	349.89
methyl propionate	394.81
isopentyl acetate	296.37
trichloroethylene	1636.73
n-nonanol	113.25
cyclohexanol	232.36
benzyl alcohol	261.25
2-ethylhexanol	156.69
isooctanol	101.36
dipropyl ether	245.67
1,2-dichlorobenzene	525.82
ethyl lactate	114.8
propylene carbonate	538.04
n-methylformamide	499.05
2-pentanol	111.49
n-pentane	46.27
1-propoxy-2-propanol	234.58
1-methoxy-2-propyl acetate	328.3
2-(2-methoxypropoxy) propanol	176.3
mesitylene	211.67
ε-caprolactone	655.64
p-cymene	163.64
epichlorohydrin	1168.69
1,1,1-trichloroethane	842.14
2-aminoethanol	92.62
morpholine-4-carbaldehyde	824.88
sulfolane	773.04
2,2,4-trimethylpentane	22.42
2-methyltetrahydrofuran	671.31
n-hexyl acetate	307.26
isooctane	21.51
2-(2-butoxyethoxy)ethanol	231.89
sec-butyl acetate	193.9
tert-butyl acetate	250.65
decalin	56.62
glycerin	71.26
diglyme	518.51
acrylic acid	202.49
isopropyl myristate	133.92
n-butyric acid	277.58
acetyl acetate	301.23
di(2-ethylhexyl) phthalate	117.14
ethyl propionate	271.52
nitromethane	632.0
1,2-diethoxyethane	314.37
benzonitrile	511.94
trioctyl phosphate	85.17
1-bromopropane	494.32
gamma-valerolactone	1169.33
n-decanol	87.27
triethyl phosphate	137.22
4-methyl-2-pentanol	77.23
propionitrile	580.91
vinylene carbonate	639.47
1,1,2-trichlorotrifluoroethane	367.22
DMS	328.13
cumene	174.08
2-octanol	92.51
2-hexanone	263.8
octyl acetate	159.12
limonene	202.11
1,2-dimethoxyethane	483.03
ethyl orthosilicate	122.84
tributyl phosphate	103.46
diacetone alcohol	220.15
N,N-dimethylaniline	252.83
acrylonitrile	719.92
aniline	379.21
1,3-propanediol	150.81
bromobenzene	713.59
dibromomethane	1059.05
1,1,2,2-tetrachloroethane	971.19
2-methyl-cyclohexyl acetate	212.79
tetrabutyl urea	138.84
diisobutyl methanol	95.92
2-phenylethanol	315.14
styrene	295.32
dioctyl adipate	162.3
dimethyl sulfate	302.11
ethyl butyrate	289.72
methyl lactate	138.34
butyl lactate	140.2
diethyl carbonate	213.26
propanediol butyl ether	129.98
triethyl orthoformate	176.11
p-tert-butyltoluene	149.33
methyl 4-tert-butylbenzoate	255.59
morpholine	967.85
tert-butylamine	141.64
n-dodecanol	70.1
dimethoxymethane	569.75
ethylene carbonate	524.3
cyrene	203.19
2-ethoxyethyl acetate	308.12
2-ethylhexyl acetate	259.06
1,2,4-trichlorobenzene	520.36
4-methylpyridine	850.32
dibutyl ether	194.53
2,6-dimethyl-4-heptanol	95.92
DEF	431.86
dimethyl isosorbide	406.46
tetrachloroethylene	696.78
eugenol	224.11
triacetin	262.92
span 80	155.98
1,4-butanediol	60.39
1,1-dichloroethane	897.59
2-methyl-1-pentanol	105.09
methyl formate	496.14
2-methyl-1-butanol	123.37
n-decane	40.49
butyronitrile	499.53
3,7-dimethyl-1-octanol	115.19
1-chlorooctane	145.72
1-chlorotetradecane	59.66
n-nonane	40.25
undecane	29.79
tert-butylcyclohexane	45.84
cyclooctane	42.76
cyclopentanol	270.22
tetrahydropyran	894.9
tert-amyl methyl ether	166.18
2,5,8-trioxanonane	315.12
1-hexene	141.02
2-isopropoxyethanol	138.25
2,2,2-trifluoroethanol	133.61
methyl butyrate	331.6

Scent© AI