Molecular formula
C14H20O2

SMILES
C[C@@H]1CCC=C2[C@]1(C[C@]3([C@@H](C2)O3)C(=O)C)C

Fragrance
Woody	67.97%
Fruity	51.92%
Amber	37.75%
Floral	37.02%
Dry	33.33%
Cedar	32.2%
Musk	31.87%
Berry	30.47%
Powdery	30.06%
Orris	27.57%

 

Flavor
Bitter	36.08%
Woody	35.29%
Minty	31.45%
Fruity	29.89%
Herbal	26.06%
Spicy	25.93%
Earthy	25.9%
Sweet	23.23%
Fruit	22.7%
Ripe apricot	22.32%

 

Odor impact est.
Medium

XLogP3-AA
2.3

pKa est.
8.24 (weak base)

Molecular weight
220.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
313°C

Flash point

• 146.38 ˚C est.

• 13-nor-7,8-Epoxy-eremophil-1(10)-en-11-one
• OQXGSYYUEPULKW-WBMYTEFPSA-N

13-nor-7,8-Epoxy-eremophil-1(10)-en-11-one may serve as a key intermediate and scaffold for the synthesis of sesquiterpene derivatives; in practice, it is considered as a fragrance ingredient or fragrance intermediate for the perfumery and cosmetics industries, and can be used in personal care formulations. It is also commonly evaluated as an intermediate for pharmaceutical synthesis and related biologically derived compounds based on the eremophilane framework, providing a chiral platform for downstream transformations. Owing to the reactivity of the epoxy and ketone groups, it may function as a reactive intermediate for the production of specialty chemicals used in industry, such as precursors for coatings and inks or polymeric materials, subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	73.28
methanol	85.94
isopropanol	66.99
water	0.52
ethyl acetate	116.0
n-propanol	71.34
acetone	133.85
n-butanol	62.82
acetonitrile	102.91
DMF	173.2
toluene	153.93
isobutanol	54.28
1,4-dioxane	302.95
methyl acetate	134.56
THF	299.08
2-butanone	131.57
n-pentanol	36.99
sec-butanol	44.47
n-hexane	2.5
ethylene glycol	26.46
NMP	111.06
cyclohexane	13.26
DMSO	94.92
n-butyl acetate	72.87
n-octanol	23.98
chloroform	391.19
n-propyl acetate	64.78
acetic acid	67.11
dichloromethane	279.83
cyclohexanone	177.95
propylene glycol	26.34
isopropyl acetate	87.3
DMAc	154.0
2-ethoxyethanol	80.22
isopentanol	58.86
n-heptane	3.52
ethyl formate	65.46
1,2-dichloroethane	154.89
n-hexanol	53.99
2-methoxyethanol	142.05
isobutyl acetate	54.55
tetrachloromethane	50.28
n-pentyl acetate	52.74
transcutol	255.4
n-heptanol	30.39
ethylbenzene	56.64
MIBK	78.69
2-propoxyethanol	133.65
tert-butanol	69.32
MTBE	70.18
2-butoxyethanol	75.73
propionic acid	62.03
o-xylene	82.16
formic acid	36.49
diethyl ether	77.48
m-xylene	91.96
p-xylene	82.15
chlorobenzene	137.45
dimethyl carbonate	71.24
n-octane	1.86
formamide	75.9
cyclopentanone	209.61
2-pentanone	97.35
anisole	117.38
cyclopentyl methyl ether	99.47
gamma-butyrolactone	173.74
1-methoxy-2-propanol	105.46
pyridine	229.36
3-pentanone	89.75
furfural	180.55
n-dodecane	2.26
diethylene glycol	120.85
diisopropyl ether	28.6
tert-amyl alcohol	44.21
acetylacetone	140.62
n-hexadecane	2.72
acetophenone	101.79
methyl propionate	101.6
isopentyl acetate	79.08
trichloroethylene	314.8
n-nonanol	25.83
cyclohexanol	63.51
benzyl alcohol	83.48
2-ethylhexanol	33.33
isooctanol	28.14
dipropyl ether	33.77
1,2-dichlorobenzene	122.04
ethyl lactate	43.02
propylene carbonate	99.95
n-methylformamide	88.11
2-pentanol	38.58
n-pentane	4.15
1-propoxy-2-propanol	80.97
1-methoxy-2-propyl acetate	116.13
2-(2-methoxypropoxy) propanol	79.77
mesitylene	52.98
ε-caprolactone	134.75
p-cymene	32.22
epichlorohydrin	227.62
1,1,1-trichloroethane	151.92
2-aminoethanol	44.9
morpholine-4-carbaldehyde	180.06
sulfolane	135.41
2,2,4-trimethylpentane	3.63
2-methyltetrahydrofuran	146.46
n-hexyl acetate	65.63
isooctane	3.89
2-(2-butoxyethoxy)ethanol	96.64
sec-butyl acetate	57.64
tert-butyl acetate	85.24
decalin	8.31
glycerin	46.17
diglyme	198.36
acrylic acid	59.68
isopropyl myristate	32.85
n-butyric acid	77.9
acetyl acetate	96.11
di(2-ethylhexyl) phthalate	38.86
ethyl propionate	66.3
nitromethane	141.66
1,2-diethoxyethane	89.64
benzonitrile	124.13
trioctyl phosphate	24.8
1-bromopropane	73.8
gamma-valerolactone	243.63
n-decanol	19.86
triethyl phosphate	37.64
4-methyl-2-pentanol	34.43
propionitrile	103.23
vinylene carbonate	122.28
1,1,2-trichlorotrifluoroethane	138.0
DMS	98.7
cumene	35.85
2-octanol	19.16
2-hexanone	62.85
octyl acetate	36.8
limonene	34.83
1,2-dimethoxyethane	159.54
ethyl orthosilicate	37.33
tributyl phosphate	29.39
diacetone alcohol	84.84
N,N-dimethylaniline	65.67
acrylonitrile	128.09
aniline	127.33
1,3-propanediol	72.68
bromobenzene	150.31
dibromomethane	161.92
1,1,2,2-tetrachloroethane	219.92
2-methyl-cyclohexyl acetate	62.1
tetrabutyl urea	37.99
diisobutyl methanol	26.84
2-phenylethanol	96.49
styrene	66.68
dioctyl adipate	42.81
dimethyl sulfate	80.64
ethyl butyrate	56.88
methyl lactate	59.11
butyl lactate	47.14
diethyl carbonate	48.53
propanediol butyl ether	57.73
triethyl orthoformate	48.57
p-tert-butyltoluene	31.08
methyl 4-tert-butylbenzoate	76.13
morpholine	243.74
tert-butylamine	41.91
n-dodecanol	15.74
dimethoxymethane	154.35
ethylene carbonate	101.87
cyrene	82.81
2-ethoxyethyl acetate	98.97
2-ethylhexyl acetate	61.52
1,2,4-trichlorobenzene	140.05
4-methylpyridine	217.32
dibutyl ether	28.28
2,6-dimethyl-4-heptanol	26.84
DEF	87.58
dimethyl isosorbide	132.4
tetrachloroethylene	144.33
eugenol	79.5
triacetin	85.44
span 80	57.04
1,4-butanediol	28.11
1,1-dichloroethane	160.72
2-methyl-1-pentanol	37.29
methyl formate	70.87
2-methyl-1-butanol	45.54
n-decane	3.43
butyronitrile	85.71
3,7-dimethyl-1-octanol	31.53
1-chlorooctane	17.25
1-chlorotetradecane	8.88
n-nonane	2.6
undecane	2.68
tert-butylcyclohexane	6.79
cyclooctane	4.75
cyclopentanol	67.32
tetrahydropyran	190.88
tert-amyl methyl ether	44.87
2,5,8-trioxanonane	131.83
1-hexene	13.1
2-isopropoxyethanol	64.02
2,2,2-trifluoroethanol	40.7
methyl butyrate	76.28

Scent© AI