Molecular formula
C21H30O2

SMILES
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

Safety labels

Fragrance
Woody	86.19%
Cedar	50.27%
Amber	48.4%
Fruity	46.98%
Dry	44.14%
Orris	42.36%
Musk	38.74%
Tobacco	35.3%
Floral	34.25%
Powdery	31.99%

 

Flavor
Minty	34.02%
Fruity	29.64%
Sweet	27.21%
Spicy	24.98%
Mint	24.15%
Fresh	24.07%
Herbal	24.04%
Woody	23.03%
Spice	22.22%
Camphor	21.93%

 

Odor impact est.
Low

XLogP3-AA
3.9

pKa est.
7.32 (neutral)

Molecular weight
314.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
428°C

Flash point

• 206.68 ˚C est.

• 1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
• 1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-one
• NCIOpen2_008018
• CHEMBL125608
• SCHEMBL5021330
• CHEBI:181131
• RJKFOVLPORLFTN-UHFFFAOYSA-N
• ALBB-025008
• CAA75510
• BBL005654
• STK374710
• AKOS005447502
• NCGC00015785-03
• NCGC00015785-05
• NCGC00015785-06
• NCGC00015785-07
• NCGC00015785-09
• 17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• VS-01588
• AB01321445-02
• 9-BETA,10-ALPHA-PREGN-4-ENE-3,20-DIONE
• 112-169-9

1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one (CAS number: ) is primarily used as an intermediate in pharmaceutical synthesis, especially for constructing steroid-like polycyclic frameworks; it also serves as a building block in general organic synthesis for various steroid derivatives; it is employed in research and development within medicinal chemistry; and it may be evaluated as a specialized precursor for steroid-related synthetic routes in industrial manufacturing.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	66.77
methanol	67.33
isopropanol	53.8
water	0.39
ethyl acetate	107.71
n-propanol	72.42
acetone	180.82
n-butanol	76.23
acetonitrile	122.84
DMF	177.04
toluene	399.21
isobutanol	44.88
1,4-dioxane	314.1
methyl acetate	71.45
THF	485.34
2-butanone	101.19
n-pentanol	21.74
sec-butanol	19.72
n-hexane	1.48
ethylene glycol	9.16
NMP	71.59
cyclohexane	15.9
DMSO	59.12
n-butyl acetate	56.77
n-octanol	8.57
chloroform	442.21
n-propyl acetate	43.72
acetic acid	42.92
dichloromethane	269.26
cyclohexanone	196.26
propylene glycol	11.07
isopropyl acetate	95.32
DMAc	99.7
2-ethoxyethanol	50.61
isopentanol	54.95
n-heptane	1.54
ethyl formate	44.11
1,2-dichloroethane	161.16
n-hexanol	35.14
2-methoxyethanol	138.44
isobutyl acetate	40.98
tetrachloromethane	39.34
n-pentyl acetate	36.06
transcutol	224.95
n-heptanol	17.51
ethylbenzene	49.72
MIBK	80.09
2-propoxyethanol	123.59
tert-butanol	42.72
MTBE	29.19
2-butoxyethanol	57.48
propionic acid	35.26
o-xylene	92.39
formic acid	17.66
diethyl ether	85.58
m-xylene	154.59
p-xylene	58.36
chlorobenzene	171.93
dimethyl carbonate	60.72
n-octane	0.63
formamide	42.14
cyclopentanone	222.06
2-pentanone	114.71
anisole	99.56
cyclopentyl methyl ether	135.42
gamma-butyrolactone	183.44
1-methoxy-2-propanol	128.03
pyridine	321.24
3-pentanone	82.49
furfural	163.96
n-dodecane	0.59
diethylene glycol	86.28
diisopropyl ether	21.5
tert-amyl alcohol	14.09
acetylacetone	164.73
n-hexadecane	0.76
acetophenone	77.08
methyl propionate	88.35
isopentyl acetate	64.19
trichloroethylene	312.69
n-nonanol	10.17
cyclohexanol	61.32
benzyl alcohol	71.23
2-ethylhexanol	18.52
isooctanol	16.07
dipropyl ether	29.22
1,2-dichlorobenzene	117.27
ethyl lactate	28.57
propylene carbonate	84.98
n-methylformamide	84.05
2-pentanol	29.23
n-pentane	3.52
1-propoxy-2-propanol	75.59
1-methoxy-2-propyl acetate	121.23
2-(2-methoxypropoxy) propanol	52.03
mesitylene	60.08
ε-caprolactone	125.96
p-cymene	23.29
epichlorohydrin	246.24
1,1,1-trichloroethane	131.24
2-aminoethanol	27.99
morpholine-4-carbaldehyde	163.49
sulfolane	110.41
2,2,4-trimethylpentane	1.31
2-methyltetrahydrofuran	119.18
n-hexyl acetate	35.82
isooctane	1.85
2-(2-butoxyethoxy)ethanol	71.63
sec-butyl acetate	39.89
tert-butyl acetate	82.0
decalin	3.98
glycerin	25.61
diglyme	152.0
acrylic acid	32.42
isopropyl myristate	17.81
n-butyric acid	83.66
acetyl acetate	90.32
di(2-ethylhexyl) phthalate	26.0
ethyl propionate	49.04
nitromethane	107.63
1,2-diethoxyethane	63.95
benzonitrile	117.35
trioctyl phosphate	15.09
1-bromopropane	79.03
gamma-valerolactone	316.08
n-decanol	7.43
triethyl phosphate	27.76
4-methyl-2-pentanol	25.2
propionitrile	124.0
vinylene carbonate	104.78
1,1,2-trichlorotrifluoroethane	101.11
DMS	61.98
cumene	25.32
2-octanol	8.03
2-hexanone	36.88
octyl acetate	18.74
limonene	22.35
1,2-dimethoxyethane	105.15
ethyl orthosilicate	26.69
tributyl phosphate	17.79
diacetone alcohol	73.08
N,N-dimethylaniline	49.03
acrylonitrile	146.77
aniline	210.97
1,3-propanediol	68.71
bromobenzene	186.14
dibromomethane	170.5
1,1,2,2-tetrachloroethane	232.12
2-methyl-cyclohexyl acetate	45.69
tetrabutyl urea	23.63
diisobutyl methanol	15.9
2-phenylethanol	82.69
styrene	64.05
dioctyl adipate	29.1
dimethyl sulfate	63.9
ethyl butyrate	46.32
methyl lactate	44.41
butyl lactate	35.29
diethyl carbonate	35.45
propanediol butyl ether	34.56
triethyl orthoformate	40.45
p-tert-butyltoluene	22.18
methyl 4-tert-butylbenzoate	60.27
morpholine	276.84
tert-butylamine	25.11
n-dodecanol	5.51
dimethoxymethane	220.6
ethylene carbonate	95.66
cyrene	60.15
2-ethoxyethyl acetate	78.51
2-ethylhexyl acetate	46.32
1,2,4-trichlorobenzene	131.49
4-methylpyridine	289.03
dibutyl ether	13.29
2,6-dimethyl-4-heptanol	15.9
DEF	72.14
dimethyl isosorbide	105.89
tetrachloroethylene	140.53
eugenol	64.7
triacetin	59.55
span 80	39.31
1,4-butanediol	14.96
1,1-dichloroethane	151.35
2-methyl-1-pentanol	18.28
methyl formate	52.63
2-methyl-1-butanol	33.65
n-decane	1.11
butyronitrile	100.07
3,7-dimethyl-1-octanol	13.52
1-chlorooctane	6.37
1-chlorotetradecane	2.6
n-nonane	0.84
undecane	0.77
tert-butylcyclohexane	2.65
cyclooctane	3.76
cyclopentanol	51.7
tetrahydropyran	246.67
tert-amyl methyl ether	16.98
2,5,8-trioxanonane	94.38
1-hexene	8.19
2-isopropoxyethanol	37.44
2,2,2-trifluoroethanol	24.7
methyl butyrate	51.95

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