CAS number
144020-22-4

Molecular formula
C17H26O

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

Safety labels

Fragrance
Woody	61.68%
Herbal	57.49%
Citrus	46.97%
Spicy	44.91%
Floral	40.21%
Mint	37.58%
Lemon	36.06%
Tobacco	35.8%
Dry	33.23%
Natural	33.01%

 

Flavor
Fruity	45.33%
Woody	33.51%
Minty	32.9%
Herbal	29.55%
Mint	29.46%
Spicy	28.85%
Spice	26.91%
Camphor	24.1%
Herb	22.96%
Phenolic	21.82%

 

Odor impact est.
Medium

XLogP3-AA
3.3

pKa est.
9.93 (weak base)

Molecular weight
246.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
304°C

Flash point

• 125.28 ˚C est.

• SCHEMBL2575638

1-(2,5,10-Trimethylcyclododeca-2,5,9-trien-1-yl)ethanone, CAS 144020-22-4, is a terpenoid ketone that is typically evaluated for use in perfumery as an odorant and fixative. In practice it functions as a fragrance ingredient in cosmetics and personal care products, as well as in household products like air fresheners and cleaners. It is also employed as an intermediate in fragrance chemistry for the synthesis of aroma materials, and may serve as a scented additive in coatings and inks for industrial formulations. Some contexts may consider its inclusion in flavor formulations; its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	353.58
methanol	234.75
isopropanol	377.37
water	0.1
ethyl acetate	788.9
n-propanol	425.07
acetone	609.58
n-butanol	476.19
acetonitrile	341.45
DMF	590.71
toluene	1064.67
isobutanol	367.98
1,4-dioxane	1388.13
methyl acetate	545.22
THF	1497.69
2-butanone	740.74
n-pentanol	342.31
sec-butanol	478.0
n-hexane	318.99
ethylene glycol	27.88
NMP	704.11
cyclohexane	430.37
DMSO	382.99
n-butyl acetate	610.16
n-octanol	201.15
chloroform	2069.61
n-propyl acetate	434.04
acetic acid	255.46
dichloromethane	1466.37
cyclohexanone	1058.79
propylene glycol	86.78
isopropyl acetate	592.89
DMAc	790.31
2-ethoxyethanol	327.7
isopentanol	489.87
n-heptane	109.95
ethyl formate	263.93
1,2-dichloroethane	995.78
n-hexanol	504.16
2-methoxyethanol	415.09
isobutyl acetate	333.06
tetrachloromethane	346.15
n-pentyl acetate	388.64
transcutol	2159.49
n-heptanol	222.54
ethylbenzene	472.62
MIBK	491.77
2-propoxyethanol	604.36
tert-butanol	573.49
MTBE	966.94
2-butoxyethanol	374.52
propionic acid	273.32
o-xylene	521.38
formic acid	46.91
diethyl ether	1167.77
m-xylene	609.38
p-xylene	508.42
chlorobenzene	742.69
dimethyl carbonate	206.63
n-octane	37.71
formamide	78.12
cyclopentanone	868.14
2-pentanone	704.35
anisole	609.1
cyclopentyl methyl ether	950.72
gamma-butyrolactone	754.82
1-methoxy-2-propanol	453.34
pyridine	1067.01
3-pentanone	617.91
furfural	674.53
n-dodecane	21.9
diethylene glycol	259.79
diisopropyl ether	373.35
tert-amyl alcohol	564.29
acetylacetone	590.35
n-hexadecane	26.46
acetophenone	464.92
methyl propionate	497.21
isopentyl acetate	591.13
trichloroethylene	1707.25
n-nonanol	196.46
cyclohexanol	618.35
benzyl alcohol	383.98
2-ethylhexanol	330.29
isooctanol	201.24
dipropyl ether	496.21
1,2-dichlorobenzene	632.03
ethyl lactate	173.47
propylene carbonate	493.09
n-methylformamide	181.79
2-pentanol	435.94
n-pentane	218.97
1-propoxy-2-propanol	524.79
1-methoxy-2-propyl acetate	625.68
2-(2-methoxypropoxy) propanol	417.18
mesitylene	382.18
ε-caprolactone	875.14
p-cymene	220.79
epichlorohydrin	1095.31
1,1,1-trichloroethane	1045.36
2-aminoethanol	103.94
morpholine-4-carbaldehyde	775.45
sulfolane	694.45
2,2,4-trimethylpentane	102.67
2-methyltetrahydrofuran	1366.12
n-hexyl acetate	556.62
isooctane	78.44
2-(2-butoxyethoxy)ethanol	582.81
sec-butyl acetate	403.75
tert-butyl acetate	597.18
decalin	173.67
glycerin	113.54
diglyme	982.74
acrylic acid	195.7
isopropyl myristate	206.98
n-butyric acid	480.86
acetyl acetate	430.55
di(2-ethylhexyl) phthalate	197.25
ethyl propionate	405.88
nitromethane	376.83
1,2-diethoxyethane	881.0
benzonitrile	505.24
trioctyl phosphate	128.63
1-bromopropane	877.78
gamma-valerolactone	1032.63
n-decanol	137.43
triethyl phosphate	204.19
4-methyl-2-pentanol	276.52
propionitrile	436.23
vinylene carbonate	429.02
1,1,2-trichlorotrifluoroethane	587.52
DMS	431.96
cumene	289.19
2-octanol	162.32
2-hexanone	476.39
octyl acetate	253.42
limonene	333.84
1,2-dimethoxyethane	731.28
ethyl orthosilicate	223.52
tributyl phosphate	170.81
diacetone alcohol	474.45
N,N-dimethylaniline	411.73
acrylonitrile	383.25
aniline	686.47
1,3-propanediol	189.71
bromobenzene	876.16
dibromomethane	1100.63
1,1,2,2-tetrachloroethane	1546.25
2-methyl-cyclohexyl acetate	368.6
tetrabutyl urea	212.78
diisobutyl methanol	202.89
2-phenylethanol	425.1
styrene	550.46
dioctyl adipate	274.26
dimethyl sulfate	264.2
ethyl butyrate	410.02
methyl lactate	189.75
butyl lactate	273.6
diethyl carbonate	269.49
propanediol butyl ether	303.32
triethyl orthoformate	333.02
p-tert-butyltoluene	221.0
methyl 4-tert-butylbenzoate	390.0
morpholine	1430.27
tert-butylamine	471.57
n-dodecanol	102.81
dimethoxymethane	515.19
ethylene carbonate	403.92
cyrene	324.81
2-ethoxyethyl acetate	553.64
2-ethylhexyl acetate	503.65
1,2,4-trichlorobenzene	750.85
4-methylpyridine	1199.94
dibutyl ether	384.37
2,6-dimethyl-4-heptanol	202.89
DEF	701.65
dimethyl isosorbide	650.41
tetrachloroethylene	925.78
eugenol	344.36
triacetin	471.89
span 80	385.25
1,4-butanediol	79.59
1,1-dichloroethane	1082.47
2-methyl-1-pentanol	404.39
methyl formate	132.62
2-methyl-1-butanol	483.53
n-decane	43.78
butyronitrile	504.48
3,7-dimethyl-1-octanol	249.68
1-chlorooctane	192.46
1-chlorotetradecane	73.22
n-nonane	43.36
undecane	29.62
tert-butylcyclohexane	148.67
cyclooctane	154.72
cyclopentanol	422.03
tetrahydropyran	1702.15
tert-amyl methyl ether	702.23
2,5,8-trioxanonane	627.35
1-hexene	637.84
2-isopropoxyethanol	309.5
2,2,2-trifluoroethanol	87.77
methyl butyrate	466.48

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