Molecular formula
C13H14O

SMILES
C1CC2C(C(C1)C2=O)C3=CC=CC=C3

Fragrance
Fruity	60.49%
Green	56.84%
Woody	52.92%
Herbal	43.9%
Floral	42.95%
Spicy	38.66%
Fresh	38.45%
Jasmin	32.69%
Balsamic	32.54%
Sweet	30.45%

 

Flavor
Bitter	64.0%
Herbal	27.77%
Animal	25.14%
Balsam	22.49%
Cedarleaf	21.0%
Lovage	20.48%
Alkaline	19.96%
Nitrile	19.88%
Naphthelene	19.76%
Moth ball	19.76%

 

Odor impact est.
Medium

XLogP3-AA
2.5

pKa est.
7.55 (neutral)

Molecular weight
186.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
316°C

Flash point

• 123.85 ˚C est.

• SCHEMBL11850583
• UPDAIVVGZWYLCY-UHFFFAOYSA-N
• 7-Phenylbicyclo[3.1.1]heptan-6-one #
• 7-exo-Phenylbicyclo[3.1.1]heptan-6-one

7-exo-Phenylbicyclo[3.1.1]heptan-6-one may be used as a fragrance intermediate and odorant in perfumery, contributing to scent profiles in fragrance formulations. It may also be used in cosmetics and personal care products as a fragrance ingredient. In industrial manufacturing, the compound could serve as a building block for the synthesis of more complex aroma compounds or specialty chemicals. It could be explored as a chiral or rigid building block for polymer and materials science applications. Additionally, it may appear in household products and cleaners as a fragrance component.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	127.59
methanol	132.55
isopropanol	100.24
water	1.43
ethyl acetate	388.01
n-propanol	123.22
acetone	585.22
n-butanol	116.97
acetonitrile	401.62
DMF	687.62
toluene	258.32
isobutanol	90.16
1,4-dioxane	662.54
methyl acetate	435.58
THF	586.87
2-butanone	429.62
n-pentanol	74.57
sec-butanol	65.97
n-hexane	8.1
ethylene glycol	60.42
NMP	365.67
cyclohexane	23.18
DMSO	409.99
n-butyl acetate	243.27
n-octanol	68.06
chloroform	1668.8
n-propyl acetate	247.05
acetic acid	256.23
dichloromethane	1674.54
cyclohexanone	625.51
propylene glycol	49.57
isopropyl acetate	208.64
DMAc	391.18
2-ethoxyethanol	175.47
isopentanol	116.66
n-heptane	9.05
ethyl formate	363.87
1,2-dichloroethane	979.7
n-hexanol	95.92
2-methoxyethanol	290.65
isobutyl acetate	159.52
tetrachloromethane	145.08
n-pentyl acetate	160.56
transcutol	1024.77
n-heptanol	66.93
ethylbenzene	123.14
MIBK	190.17
2-propoxyethanol	226.3
tert-butanol	103.15
MTBE	120.97
2-butoxyethanol	164.29
propionic acid	214.64
o-xylene	135.1
formic acid	86.29
diethyl ether	190.76
m-xylene	145.06
p-xylene	154.76
chlorobenzene	457.8
dimethyl carbonate	211.22
n-octane	5.91
formamide	229.89
cyclopentanone	707.45
2-pentanone	335.82
anisole	278.28
cyclopentyl methyl ether	216.8
gamma-butyrolactone	829.35
1-methoxy-2-propanol	199.52
pyridine	867.73
3-pentanone	257.82
furfural	770.86
n-dodecane	6.24
diethylene glycol	201.6
diisopropyl ether	52.21
tert-amyl alcohol	72.37
acetylacetone	464.49
n-hexadecane	7.38
acetophenone	291.75
methyl propionate	308.22
isopentyl acetate	210.34
trichloroethylene	2015.24
n-nonanol	62.91
cyclohexanol	121.45
benzyl alcohol	222.25
2-ethylhexanol	70.38
isooctanol	62.3
dipropyl ether	86.48
1,2-dichlorobenzene	386.95
ethyl lactate	111.38
propylene carbonate	453.73
n-methylformamide	405.81
2-pentanol	67.53
n-pentane	8.22
1-propoxy-2-propanol	145.94
1-methoxy-2-propyl acetate	233.51
2-(2-methoxypropoxy) propanol	156.54
mesitylene	86.1
ε-caprolactone	477.84
p-cymene	62.59
epichlorohydrin	1022.01
1,1,1-trichloroethane	571.13
2-aminoethanol	87.96
morpholine-4-carbaldehyde	501.51
sulfolane	597.81
2,2,4-trimethylpentane	6.83
2-methyltetrahydrofuran	335.57
n-hexyl acetate	216.71
isooctane	7.0
2-(2-butoxyethoxy)ethanol	231.7
sec-butyl acetate	152.17
tert-butyl acetate	171.97
decalin	16.59
glycerin	100.1
diglyme	536.96
acrylic acid	244.4
isopropyl myristate	75.28
n-butyric acid	285.71
acetyl acetate	278.75
di(2-ethylhexyl) phthalate	81.21
ethyl propionate	199.6
nitromethane	762.55
1,2-diethoxyethane	272.73
benzonitrile	406.37
trioctyl phosphate	53.1
1-bromopropane	264.05
gamma-valerolactone	850.01
n-decanol	46.23
triethyl phosphate	81.59
4-methyl-2-pentanol	57.53
propionitrile	301.8
vinylene carbonate	524.87
1,1,2-trichlorotrifluoroethane	492.98
DMS	259.19
cumene	78.54
2-octanol	46.58
2-hexanone	213.86
octyl acetate	94.73
limonene	70.02
1,2-dimethoxyethane	392.91
ethyl orthosilicate	72.38
tributyl phosphate	68.89
diacetone alcohol	182.98
N,N-dimethylaniline	144.83
acrylonitrile	506.63
aniline	286.74
1,3-propanediol	147.0
bromobenzene	474.02
dibromomethane	851.3
1,1,2,2-tetrachloroethane	1083.71
2-methyl-cyclohexyl acetate	124.61
tetrabutyl urea	87.93
diisobutyl methanol	50.62
2-phenylethanol	181.41
styrene	175.15
dioctyl adipate	112.94
dimethyl sulfate	251.22
ethyl butyrate	177.1
methyl lactate	148.53
butyl lactate	129.44
diethyl carbonate	135.09
propanediol butyl ether	148.71
triethyl orthoformate	103.67
p-tert-butyltoluene	54.8
methyl 4-tert-butylbenzoate	173.66
morpholine	508.03
tert-butylamine	62.33
n-dodecanol	34.87
dimethoxymethane	374.19
ethylene carbonate	414.17
cyrene	163.06
2-ethoxyethyl acetate	262.23
2-ethylhexyl acetate	160.43
1,2,4-trichlorobenzene	418.58
4-methylpyridine	627.72
dibutyl ether	97.61
2,6-dimethyl-4-heptanol	50.62
DEF	310.31
dimethyl isosorbide	269.89
tetrachloroethylene	751.5
eugenol	177.25
triacetin	239.16
span 80	124.99
1,4-butanediol	60.14
1,1-dichloroethane	698.97
2-methyl-1-pentanol	80.56
methyl formate	393.66
2-methyl-1-butanol	90.45
n-decane	9.94
butyronitrile	258.8
3,7-dimethyl-1-octanol	71.56
1-chlorooctane	55.14
1-chlorotetradecane	22.13
n-nonane	8.93
undecane	7.65
tert-butylcyclohexane	14.18
cyclooctane	8.97
cyclopentanol	143.36
tetrahydropyran	397.76
tert-amyl methyl ether	77.25
2,5,8-trioxanonane	290.04
1-hexene	44.08
2-isopropoxyethanol	133.83
2,2,2-trifluoroethanol	165.07
methyl butyrate	285.74

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