Molecular formula
C13H20O

SMILES
CC1CC(=CC(C1C=CC(=O)C)C)C

Fragrance
Woody	80.22%
Floral	78.14%
Violet	49.05%
Orris	41.2%
Green	38.65%
Powdery	38.06%
Sweet	36.49%
Dry	35.38%
Fresh	34.82%
Spicy	31.54%

 

Flavor
Floral	60.35%
Sweet	59.98%
Woody	54.02%
Fruity	47.21%
Spicy	40.32%
Tropical	37.37%
Violet	37.15%
Spice	34.24%
Powdery	33.81%
Orris	30.94%

 

Odor impact est.
High

XLogP3-AA
2.7

pKa est.
8.87 (weak base)

Molecular weight
192.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
258°C

Flash point

• 112.85 ˚C est.

• DTXSID1052371
• orris butenone
• FETSKTIMHFKZNF-UHFFFAOYSA-N
• NS00012651

Orris butenone is primarily used in fragrance-related applications as an iris-like odorant or as an intermediate for synthesizing related aroma compounds; in perfumery and fragrance it can serve as a scent ingredient and, as a potential fixative, help extend fragrance longevity; it is also used in cosmetics and personal care as a fragrance component, in household products such as air fresheners and cleaners to contribute to fragrance profiles, and in industrial manufacturing as a fragrance intermediate or in coatings and inks to impart or stabilize odor.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	880.11
methanol	871.47
isopropanol	602.26
water	0.43
ethyl acetate	720.68
n-propanol	603.25
acetone	776.28
n-butanol	580.15
acetonitrile	616.89
DMF	648.19
toluene	503.38
isobutanol	391.21
1,4-dioxane	1565.19
methyl acetate	535.15
THF	1977.67
2-butanone	612.07
n-pentanol	285.21
sec-butanol	374.42
n-hexane	76.78
ethylene glycol	63.07
NMP	543.86
cyclohexane	174.59
DMSO	440.67
n-butyl acetate	597.04
n-octanol	174.87
chloroform	1432.56
n-propyl acetate	292.11
acetic acid	335.71
dichloromethane	1261.34
cyclohexanone	856.02
propylene glycol	121.74
isopropyl acetate	392.02
DMAc	384.91
2-ethoxyethanol	297.53
isopentanol	426.28
n-heptane	70.63
ethyl formate	334.49
1,2-dichloroethane	711.68
n-hexanol	609.69
2-methoxyethanol	683.58
isobutyl acetate	200.16
tetrachloromethane	202.51
n-pentyl acetate	244.29
transcutol	1695.72
n-heptanol	182.19
ethylbenzene	168.86
MIBK	303.76
2-propoxyethanol	779.97
tert-butanol	576.64
MTBE	581.69
2-butoxyethanol	288.82
propionic acid	272.61
o-xylene	213.89
formic acid	93.22
diethyl ether	879.9
m-xylene	315.57
p-xylene	184.89
chlorobenzene	445.15
dimethyl carbonate	142.63
n-octane	23.37
formamide	141.11
cyclopentanone	951.28
2-pentanone	604.68
anisole	319.01
cyclopentyl methyl ether	777.86
gamma-butyrolactone	871.19
1-methoxy-2-propanol	529.77
pyridine	763.69
3-pentanone	376.87
furfural	560.47
n-dodecane	18.79
diethylene glycol	369.34
diisopropyl ether	204.14
tert-amyl alcohol	343.79
acetylacetone	491.77
n-hexadecane	21.94
acetophenone	228.56
methyl propionate	445.25
isopentyl acetate	470.87
trichloroethylene	1166.05
n-nonanol	150.64
cyclohexanol	496.03
benzyl alcohol	229.3
2-ethylhexanol	281.85
isooctanol	133.73
dipropyl ether	398.89
1,2-dichlorobenzene	326.16
ethyl lactate	112.62
propylene carbonate	437.0
n-methylformamide	314.54
2-pentanol	344.77
n-pentane	94.71
1-propoxy-2-propanol	515.21
1-methoxy-2-propyl acetate	522.13
2-(2-methoxypropoxy) propanol	282.33
mesitylene	176.92
ε-caprolactone	667.66
p-cymene	132.2
epichlorohydrin	1076.01
1,1,1-trichloroethane	678.61
2-aminoethanol	177.87
morpholine-4-carbaldehyde	664.78
sulfolane	607.05
2,2,4-trimethylpentane	36.5
2-methyltetrahydrofuran	1372.98
n-hexyl acetate	381.41
isooctane	36.75
2-(2-butoxyethoxy)ethanol	439.55
sec-butyl acetate	203.97
tert-butyl acetate	392.96
decalin	59.5
glycerin	132.42
diglyme	704.82
acrylic acid	180.17
isopropyl myristate	136.49
n-butyric acid	530.37
acetyl acetate	336.76
di(2-ethylhexyl) phthalate	135.82
ethyl propionate	247.31
nitromethane	519.84
1,2-diethoxyethane	642.02
benzonitrile	361.31
trioctyl phosphate	96.71
1-bromopropane	578.29
gamma-valerolactone	1022.05
n-decanol	112.26
triethyl phosphate	121.44
4-methyl-2-pentanol	183.95
propionitrile	491.32
vinylene carbonate	375.12
1,1,2-trichlorotrifluoroethane	430.09
DMS	262.92
cumene	111.94
2-octanol	114.81
2-hexanone	302.02
octyl acetate	174.68
limonene	213.6
1,2-dimethoxyethane	586.99
ethyl orthosilicate	127.88
tributyl phosphate	123.73
diacetone alcohol	347.71
N,N-dimethylaniline	184.46
acrylonitrile	418.1
aniline	444.49
1,3-propanediol	320.87
bromobenzene	486.17
dibromomethane	886.92
1,1,2,2-tetrachloroethane	802.88
2-methyl-cyclohexyl acetate	237.38
tetrabutyl urea	140.0
diisobutyl methanol	142.71
2-phenylethanol	329.93
styrene	210.54
dioctyl adipate	179.31
dimethyl sulfate	160.61
ethyl butyrate	319.13
methyl lactate	144.21
butyl lactate	177.45
diethyl carbonate	184.9
propanediol butyl ether	261.87
triethyl orthoformate	206.89
p-tert-butyltoluene	132.42
methyl 4-tert-butylbenzoate	213.84
morpholine	1677.34
tert-butylamine	397.16
n-dodecanol	86.57
dimethoxymethane	654.31
ethylene carbonate	343.36
cyrene	210.47
2-ethoxyethyl acetate	369.16
2-ethylhexyl acetate	357.86
1,2,4-trichlorobenzene	367.94
4-methylpyridine	814.69
dibutyl ether	252.57
2,6-dimethyl-4-heptanol	142.71
DEF	467.44
dimethyl isosorbide	510.5
tetrachloroethylene	511.01
eugenol	201.74
triacetin	276.25
span 80	259.48
1,4-butanediol	87.19
1,1-dichloroethane	791.48
2-methyl-1-pentanol	237.94
methyl formate	236.1
2-methyl-1-butanol	353.4
n-decane	33.28
butyronitrile	587.14
3,7-dimethyl-1-octanol	184.13
1-chlorooctane	139.1
1-chlorotetradecane	54.08
n-nonane	33.67
undecane	23.79
tert-butylcyclohexane	54.82
cyclooctane	56.42
cyclopentanol	455.56
tetrahydropyran	1635.66
tert-amyl methyl ether	339.05
2,5,8-trioxanonane	450.09
1-hexene	255.37
2-isopropoxyethanol	214.96
2,2,2-trifluoroethanol	91.83
methyl butyrate	310.76

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