CAS number
56973-85-4

Molecular formula
C13H20O

SMILES
CC1(CCC=C(C1)C(=O)CCC=C)C

Safety labels

Fragrance
Fruity	92.96%
Green	81.41%
Pineapple	55.89%
Herbal	53.38%
Tropical	41.62%
Sweet	38.55%
Fresh	37.9%
Earthy	36.92%
Berry	35.45%
Metallic	35.18%

 

Flavor
Herbal	44.37%
Woody	39.7%
Spicy	36.98%
Floral	35.17%
Fruity	31.22%
Minty	27.22%
Spice	26.98%
Sweet	24.48%
Fresh	24.03%
Jasmin	23.79%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
8.04 (weak base)

Molecular weight
192.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
255°C

Flash point

• 107.76 ˚C est.

• 1-(5,5-Dimethyl-1-cyclohexen-1-yl)-4-penten-1-one
• 56973-85-4
• EINECS 260-486-7
• 1-(5,5-dimethylcyclohexen-1-yl)pent-4-en-1-one
• 1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
• 4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-
• DTXSID7052230
• 1-(5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)PENT-4-EN-1-ONE
• galbanum ketone
• SCHEMBL112059
• CHEMBL3730612
• DTXCID2030801
• OEVIJAZJVZDBQL-UHFFFAOYSA-N
• AKOS006279435
• DS-020297
• NS00012287
• 260-486-7
• Alpha-neobutenone
• Dynascone

Primarily, this enone is evaluated as a fragrance ingredient and odorant for perfumery and cosmetic applications, where its cyclohexene framework contributes characteristic notes. It may be used as a component in cosmetic and personal care formulations as a fragrance additive, and may find use in household products to impart aroma. In industrial manufacturing, it can serve as an intermediate in organic synthesis for specialty chemicals, and may be a precursor in polymer or materials chemistry. It can also be considered for inclusion in coatings or inks as a fragrance additive to impart aroma during product use.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	200.22
methanol	145.53
isopropanol	220.3
water	0.15
ethyl acetate	242.06
n-propanol	211.93
acetone	189.07
n-butanol	236.59
acetonitrile	110.11
DMF	302.74
toluene	198.09
isobutanol	189.08
1,4-dioxane	342.22
methyl acetate	212.44
THF	469.5
2-butanone	286.58
n-pentanol	167.46
sec-butanol	223.79
n-hexane	61.71
ethylene glycol	26.29
NMP	202.82
cyclohexane	70.34
DMSO	133.33
n-butyl acetate	338.11
n-octanol	160.08
chloroform	523.18
n-propyl acetate	172.64
acetic acid	87.28
dichloromethane	332.75
cyclohexanone	351.41
propylene glycol	69.25
isopropyl acetate	200.05
DMAc	328.16
2-ethoxyethanol	161.73
isopentanol	254.93
n-heptane	46.82
ethyl formate	117.97
1,2-dichloroethane	246.91
n-hexanol	355.01
2-methoxyethanol	238.73
isobutyl acetate	162.95
tetrachloromethane	64.34
n-pentyl acetate	166.87
transcutol	710.09
n-heptanol	153.27
ethylbenzene	161.91
MIBK	205.69
2-propoxyethanol	368.89
tert-butanol	299.97
MTBE	302.61
2-butoxyethanol	211.06
propionic acid	108.03
o-xylene	153.14
formic acid	21.92
diethyl ether	223.44
m-xylene	186.52
p-xylene	184.89
chlorobenzene	202.31
dimethyl carbonate	71.5
n-octane	25.89
formamide	30.54
cyclopentanone	314.05
2-pentanone	239.0
anisole	235.89
cyclopentyl methyl ether	239.53
gamma-butyrolactone	242.47
1-methoxy-2-propanol	275.19
pyridine	274.73
3-pentanone	185.17
furfural	253.18
n-dodecane	23.04
diethylene glycol	181.67
diisopropyl ether	112.3
tert-amyl alcohol	260.62
acetylacetone	216.16
n-hexadecane	25.9
acetophenone	198.57
methyl propionate	175.33
isopentyl acetate	344.36
trichloroethylene	482.44
n-nonanol	146.76
cyclohexanol	205.78
benzyl alcohol	160.55
2-ethylhexanol	224.7
isooctanol	137.6
dipropyl ether	188.75
1,2-dichlorobenzene	199.1
ethyl lactate	102.36
propylene carbonate	195.44
n-methylformamide	86.47
2-pentanol	204.49
n-pentane	47.09
1-propoxy-2-propanol	337.39
1-methoxy-2-propyl acetate	307.44
2-(2-methoxypropoxy) propanol	247.26
mesitylene	132.5
ε-caprolactone	289.73
p-cymene	127.64
epichlorohydrin	326.61
1,1,1-trichloroethane	257.35
2-aminoethanol	74.94
morpholine-4-carbaldehyde	265.59
sulfolane	230.45
2,2,4-trimethylpentane	33.74
2-methyltetrahydrofuran	356.98
n-hexyl acetate	272.19
isooctane	36.22
2-(2-butoxyethoxy)ethanol	306.35
sec-butyl acetate	169.71
tert-butyl acetate	233.48
decalin	55.38
glycerin	77.43
diglyme	429.3
acrylic acid	78.94
isopropyl myristate	127.75
n-butyric acid	207.45
acetyl acetate	129.45
di(2-ethylhexyl) phthalate	116.63
ethyl propionate	161.06
nitromethane	126.64
1,2-diethoxyethane	291.96
benzonitrile	203.07
trioctyl phosphate	83.71
1-bromopropane	222.67
gamma-valerolactone	379.71
n-decanol	115.96
triethyl phosphate	102.7
4-methyl-2-pentanol	169.32
propionitrile	172.73
vinylene carbonate	176.21
1,1,2-trichlorotrifluoroethane	197.41
DMS	177.88
cumene	130.3
2-octanol	116.86
2-hexanone	206.95
octyl acetate	146.09
limonene	157.96
1,2-dimethoxyethane	304.55
ethyl orthosilicate	102.9
tributyl phosphate	102.53
diacetone alcohol	236.97
N,N-dimethylaniline	176.66
acrylonitrile	153.88
aniline	160.37
1,3-propanediol	132.49
bromobenzene	224.06
dibromomethane	256.49
1,1,2,2-tetrachloroethane	420.83
2-methyl-cyclohexyl acetate	197.87
tetrabutyl urea	131.28
diisobutyl methanol	147.42
2-phenylethanol	236.06
styrene	166.1
dioctyl adipate	153.6
dimethyl sulfate	86.59
ethyl butyrate	216.65
methyl lactate	100.45
butyl lactate	160.79
diethyl carbonate	144.62
propanediol butyl ether	220.58
triethyl orthoformate	150.61
p-tert-butyltoluene	126.2
methyl 4-tert-butylbenzoate	213.48
morpholine	376.2
tert-butylamine	211.22
n-dodecanol	94.2
dimethoxymethane	192.53
ethylene carbonate	148.72
cyrene	163.79
2-ethoxyethyl acetate	212.84
2-ethylhexyl acetate	272.47
1,2,4-trichlorobenzene	220.44
4-methylpyridine	321.13
dibutyl ether	186.25
2,6-dimethyl-4-heptanol	147.42
DEF	219.35
dimethyl isosorbide	346.14
tetrachloroethylene	225.4
eugenol	202.2
triacetin	215.13
span 80	214.99
1,4-butanediol	56.19
1,1-dichloroethane	282.61
2-methyl-1-pentanol	194.08
methyl formate	72.19
2-methyl-1-butanol	209.69
n-decane	36.84
butyronitrile	221.42
3,7-dimethyl-1-octanol	195.45
1-chlorooctane	125.0
1-chlorotetradecane	56.87
n-nonane	35.36
undecane	28.53
tert-butylcyclohexane	58.23
cyclooctane	32.99
cyclopentanol	169.91
tetrahydropyran	386.53
tert-amyl methyl ether	237.78
2,5,8-trioxanonane	313.29
1-hexene	178.3
2-isopropoxyethanol	158.59
2,2,2-trifluoroethanol	28.76
methyl butyrate	202.6

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