Molecular formula
C19H28O

SMILES
CC12CCC3C(C1CC=C2)CCC4C3(CCC(=O)C4)C

Fragrance
Woody	69.43%
Fruity	42.53%
Amber	41.24%
Sweet	40.98%
Fresh	40.83%
Musk	39.73%
Dry	39.49%
Cedar	36.22%
Floral	36.17%
Green	33.64%

 

Flavor
Sweet	30.04%
Woody	28.56%
Spice	27.37%
Wood	26.66%
Herb	26.24%
Spicy	25.4%
Camphor	24.36%
Dry	23.46%
Fir needle	23.42%
Herbal	23.34%

 

Odor impact est.
Medium

XLogP3-AA
4.9

pKa est.
7.43 (neutral)

Molecular weight
272.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
398°C

Flash point

• 175.94 ˚C est.

• 5alpha-Androstenone
• DTXSID80860220
• SCHEMBL15261670
• PD014165
• DB-049952
• NS00009595
• BRD-A64011898-001-01-0

10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one primarily serves as a synthetic intermediate in steroid chemistry, acting as a building block for corticosteroid and other steroid hormone derivatives used in pharmaceutical manufacturing; it is also employed in research and development as a model compound for reaction development and analytical method validation related to saturated steroid cores; in some cases it is explored as a precursor for cosmetics/dermatological actives derived from the steroid framework; and it may be studied in polymer and materials science as a steroid-inspired scaffold for material development.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	173.71
methanol	118.86
isopropanol	159.51
water	0.9
ethyl acetate	367.6
n-propanol	181.87
acetone	446.79
n-butanol	202.33
acetonitrile	202.21
DMF	273.55
toluene	897.2
isobutanol	112.28
1,4-dioxane	802.25
methyl acetate	207.17
THF	933.59
2-butanone	273.02
n-pentanol	45.47
sec-butanol	50.42
n-hexane	7.35
ethylene glycol	16.22
NMP	97.09
cyclohexane	67.73
DMSO	111.24
n-butyl acetate	191.97
n-octanol	26.25
chloroform	994.07
n-propyl acetate	126.11
acetic acid	73.08
dichloromethane	623.53
cyclohexanone	451.03
propylene glycol	20.3
isopropyl acetate	322.96
DMAc	172.3
2-ethoxyethanol	102.08
isopentanol	154.35
n-heptane	8.94
ethyl formate	125.0
1,2-dichloroethane	395.66
n-hexanol	94.66
2-methoxyethanol	274.63
isobutyl acetate	114.77
tetrachloromethane	116.17
n-pentyl acetate	102.33
transcutol	734.9
n-heptanol	43.51
ethylbenzene	151.65
MIBK	226.54
2-propoxyethanol	249.64
tert-butanol	131.57
MTBE	153.39
2-butoxyethanol	120.88
propionic acid	71.53
o-xylene	277.02
formic acid	25.08
diethyl ether	361.99
m-xylene	418.37
p-xylene	165.73
chlorobenzene	405.38
dimethyl carbonate	134.6
n-octane	3.21
formamide	61.35
cyclopentanone	434.21
2-pentanone	330.43
anisole	274.8
cyclopentyl methyl ether	330.47
gamma-butyrolactone	332.33
1-methoxy-2-propanol	237.63
pyridine	703.67
3-pentanone	230.53
furfural	319.08
n-dodecane	2.88
diethylene glycol	151.56
diisopropyl ether	104.86
tert-amyl alcohol	40.05
acetylacetone	415.47
n-hexadecane	3.66
acetophenone	184.98
methyl propionate	227.2
isopentyl acetate	202.81
trichloroethylene	672.73
n-nonanol	30.28
cyclohexanol	144.16
benzyl alcohol	149.27
2-ethylhexanol	53.55
isooctanol	41.55
dipropyl ether	108.42
1,2-dichlorobenzene	290.51
ethyl lactate	58.46
propylene carbonate	188.94
n-methylformamide	128.49
2-pentanol	83.56
n-pentane	19.11
1-propoxy-2-propanol	161.3
1-methoxy-2-propyl acetate	323.77
2-(2-methoxypropoxy) propanol	126.67
mesitylene	203.46
ε-caprolactone	298.29
p-cymene	72.81
epichlorohydrin	501.24
1,1,1-trichloroethane	363.81
2-aminoethanol	46.25
morpholine-4-carbaldehyde	295.19
sulfolane	181.55
2,2,4-trimethylpentane	6.2
2-methyltetrahydrofuran	318.99
n-hexyl acetate	108.59
isooctane	9.75
2-(2-butoxyethoxy)ethanol	182.08
sec-butyl acetate	127.98
tert-butyl acetate	258.62
decalin	16.98
glycerin	41.97
diglyme	415.48
acrylic acid	60.19
isopropyl myristate	55.15
n-butyric acid	193.88
acetyl acetate	248.28
di(2-ethylhexyl) phthalate	59.47
ethyl propionate	144.83
nitromethane	190.32
1,2-diethoxyethane	250.08
benzonitrile	258.05
trioctyl phosphate	37.26
1-bromopropane	250.13
gamma-valerolactone	599.1
n-decanol	22.7
triethyl phosphate	68.39
4-methyl-2-pentanol	72.36
propionitrile	253.57
vinylene carbonate	232.46
1,1,2-trichlorotrifluoroethane	181.03
DMS	156.85
cumene	79.99
2-octanol	22.88
2-hexanone	98.14
octyl acetate	56.53
limonene	71.8
1,2-dimethoxyethane	282.67
ethyl orthosilicate	68.52
tributyl phosphate	45.63
diacetone alcohol	167.07
N,N-dimethylaniline	133.71
acrylonitrile	247.4
aniline	446.38
1,3-propanediol	130.25
bromobenzene	462.51
dibromomethane	421.34
1,1,2,2-tetrachloroethane	497.64
2-methyl-cyclohexyl acetate	107.61
tetrabutyl urea	53.71
diisobutyl methanol	49.64
2-phenylethanol	177.57
styrene	192.92
dioctyl adipate	77.23
dimethyl sulfate	119.87
ethyl butyrate	146.72
methyl lactate	82.35
butyl lactate	81.45
diethyl carbonate	104.28
propanediol butyl ether	78.45
triethyl orthoformate	113.12
p-tert-butyltoluene	71.4
methyl 4-tert-butylbenzoate	142.75
morpholine	641.39
tert-butylamine	93.58
n-dodecanol	17.66
dimethoxymethane	458.02
ethylene carbonate	218.83
cyrene	98.12
2-ethoxyethyl acetate	220.56
2-ethylhexyl acetate	146.93
1,2,4-trichlorobenzene	298.17
4-methylpyridine	653.23
dibutyl ether	55.55
2,6-dimethyl-4-heptanol	49.64
DEF	194.13
dimethyl isosorbide	220.0
tetrachloroethylene	325.22
eugenol	136.84
triacetin	157.57
span 80	89.62
1,4-butanediol	23.19
1,1-dichloroethane	402.37
2-methyl-1-pentanol	43.09
methyl formate	91.69
2-methyl-1-butanol	85.81
n-decane	5.18
butyronitrile	250.31
3,7-dimethyl-1-octanol	43.64
1-chlorooctane	24.07
1-chlorotetradecane	10.87
n-nonane	4.26
undecane	3.68
tert-butylcyclohexane	12.2
cyclooctane	20.92
cyclopentanol	97.84
tetrahydropyran	681.28
tert-amyl methyl ether	69.74
2,5,8-trioxanonane	238.54
1-hexene	31.87
2-isopropoxyethanol	77.88
2,2,2-trifluoroethanol	44.6
methyl butyrate	148.29

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