Molecular formula
C21H32O3

SMILES
CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C

Fragrance
Woody	75.59%
Cedar	41.33%
Balsamic	40.52%
Herbal	40.29%
Amber	39.2%
Spicy	38.26%
Camphoreous	37.56%
Dry	35.38%
Mint	33.33%
Pine	33.1%

 

Flavor
Bitter	36.17%
Minty	36.09%
Herbal	31.88%
Spicy	30.76%
Woody	29.27%
Camphor	28.57%
Balsam	28.38%
Fruity	28.05%
Sweet	25.84%
Mint	24.59%

 

Odor impact est.
Low

XLogP3-AA
4.4

pKa est.
7.42 (neutral)

Molecular weight
332.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
423°C

Flash point

• 217.74 ˚C est.

• (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
• PD033033
• 1,7-dihydroxy-1,9a,11a-trimethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-8-carbaldehyde

1,7-dihydroxy-1,9a,11a-trimethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-8-carbaldehyde is commonly used as a building block in the synthesis of polycyclic aromatic dyes and pigments for coatings and inks; its aldehyde and phenolic groups enable functionalization to create crosslinkable monomers and specialty polymers and coatings; it is evaluated as a precursor for organic electronic and photonic materials; in research and development, it serves as a platform for preparing other functional PAH derivatives.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	59.9
methanol	73.96
isopropanol	47.81
water	0.65
ethyl acetate	52.52
n-propanol	53.43
acetone	88.22
n-butanol	43.42
acetonitrile	36.71
DMF	176.75
toluene	50.91
isobutanol	23.79
1,4-dioxane	143.63
methyl acetate	32.42
THF	334.56
2-butanone	40.35
n-pentanol	10.13
sec-butanol	7.78
n-hexane	0.38
ethylene glycol	12.85
NMP	32.61
cyclohexane	1.74
DMSO	101.67
n-butyl acetate	29.26
n-octanol	6.3
chloroform	148.55
n-propyl acetate	22.05
acetic acid	43.62
dichloromethane	75.44
cyclohexanone	65.11
propylene glycol	12.3
isopropyl acetate	49.09
DMAc	69.41
2-ethoxyethanol	45.43
isopentanol	28.41
n-heptane	0.5
ethyl formate	24.31
1,2-dichloroethane	43.59
n-hexanol	20.8
2-methoxyethanol	140.84
isobutyl acetate	19.19
tetrachloromethane	15.97
n-pentyl acetate	23.14
transcutol	147.88
n-heptanol	13.82
ethylbenzene	11.28
MIBK	39.48
2-propoxyethanol	105.81
tert-butanol	33.91
MTBE	13.41
2-butoxyethanol	52.64
propionic acid	23.47
o-xylene	16.72
formic acid	28.63
diethyl ether	29.29
m-xylene	27.52
p-xylene	14.11
chlorobenzene	40.89
dimethyl carbonate	46.95
n-octane	0.29
formamide	61.12
cyclopentanone	104.26
2-pentanone	46.67
anisole	38.4
cyclopentyl methyl ether	46.15
gamma-butyrolactone	99.71
1-methoxy-2-propanol	120.96
pyridine	107.38
3-pentanone	28.2
furfural	92.99
n-dodecane	0.22
diethylene glycol	87.29
diisopropyl ether	7.82
tert-amyl alcohol	7.52
acetylacetone	96.9
n-hexadecane	0.28
acetophenone	35.43
methyl propionate	46.32
isopentyl acetate	32.59
trichloroethylene	115.53
n-nonanol	7.74
cyclohexanol	17.47
benzyl alcohol	33.6
2-ethylhexanol	8.84
isooctanol	10.93
dipropyl ether	12.84
1,2-dichlorobenzene	34.63
ethyl lactate	21.29
propylene carbonate	48.23
n-methylformamide	80.74
2-pentanol	12.5
n-pentane	0.69
1-propoxy-2-propanol	60.12
1-methoxy-2-propyl acetate	78.31
2-(2-methoxypropoxy) propanol	37.82
mesitylene	13.98
ε-caprolactone	49.7
p-cymene	7.42
epichlorohydrin	121.51
1,1,1-trichloroethane	41.24
2-aminoethanol	33.27
morpholine-4-carbaldehyde	90.81
sulfolane	84.57
2,2,4-trimethylpentane	0.34
2-methyltetrahydrofuran	42.08
n-hexyl acetate	21.46
isooctane	0.56
2-(2-butoxyethoxy)ethanol	54.77
sec-butyl acetate	17.81
tert-butyl acetate	49.36
decalin	0.85
glycerin	33.98
diglyme	113.0
acrylic acid	26.93
isopropyl myristate	8.78
n-butyric acid	54.21
acetyl acetate	51.58
di(2-ethylhexyl) phthalate	14.89
ethyl propionate	25.02
nitromethane	97.33
1,2-diethoxyethane	33.0
benzonitrile	38.22
trioctyl phosphate	9.8
1-bromopropane	14.19
gamma-valerolactone	166.86
n-decanol	4.89
triethyl phosphate	14.68
4-methyl-2-pentanol	12.52
propionitrile	38.13
vinylene carbonate	59.86
1,1,2-trichlorotrifluoroethane	78.83
DMS	34.9
cumene	6.42
2-octanol	5.66
2-hexanone	16.94
octyl acetate	10.35
limonene	6.72
1,2-dimethoxyethane	86.96
ethyl orthosilicate	13.8
tributyl phosphate	9.78
diacetone alcohol	52.89
N,N-dimethylaniline	20.66
acrylonitrile	58.48
aniline	58.41
1,3-propanediol	68.42
bromobenzene	38.27
dibromomethane	41.11
1,1,2,2-tetrachloroethane	83.25
2-methyl-cyclohexyl acetate	21.88
tetrabutyl urea	13.29
diisobutyl methanol	7.46
2-phenylethanol	45.18
styrene	14.68
dioctyl adipate	15.33
dimethyl sulfate	57.95
ethyl butyrate	23.32
methyl lactate	39.13
butyl lactate	27.34
diethyl carbonate	18.65
propanediol butyl ether	32.5
triethyl orthoformate	21.16
p-tert-butyltoluene	7.9
methyl 4-tert-butylbenzoate	38.9
morpholine	128.51
tert-butylamine	12.23
n-dodecanol	3.05
dimethoxymethane	188.75
ethylene carbonate	53.27
cyrene	39.76
2-ethoxyethyl acetate	48.43
2-ethylhexyl acetate	21.03
1,2,4-trichlorobenzene	41.14
4-methylpyridine	76.29
dibutyl ether	5.93
2,6-dimethyl-4-heptanol	7.46
DEF	32.49
dimethyl isosorbide	72.99
tetrachloroethylene	58.7
eugenol	43.96
triacetin	36.47
span 80	28.35
1,4-butanediol	12.43
1,1-dichloroethane	40.65
2-methyl-1-pentanol	7.51
methyl formate	49.05
2-methyl-1-butanol	13.16
n-decane	0.47
butyronitrile	32.93
3,7-dimethyl-1-octanol	7.89
1-chlorooctane	2.6
1-chlorotetradecane	0.88
n-nonane	0.37
undecane	0.3
tert-butylcyclohexane	0.67
cyclooctane	0.65
cyclopentanol	21.22
tetrahydropyran	76.42
tert-amyl methyl ether	7.09
2,5,8-trioxanonane	67.57
1-hexene	1.94
2-isopropoxyethanol	27.81
2,2,2-trifluoroethanol	28.85
methyl butyrate	25.58

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