Molecular formula
C8H12O

SMILES
CC(=CC=CC(=O)C)C

Fragrance
Sweet	77.12%
Green	74.61%
Spicy	68.31%
Herbal	67.56%
Woody	62.75%
Fruity	59.31%
Nutty	55.64%
Earthy	46.99%
Vegetable	45.54%
Cinnamon	41.98%

 

Flavor
Sweet	59.55%
Green	38.59%
Spicy	36.81%
Fruity	35.85%
Pungent	34.11%
Nutty	33.14%
Dry	32.08%
Citrus	29.95%
Floral	29.45%
Phenolic	28.43%

 

Odor impact est.
High

XLogP3-AA
2.0

pKa est.
9.05 (weak base)

Molecular weight
124.18 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
194°C

Flash point

• 62.09 ˚C est.

• 6-Methyl-3,5-heptadienon
• DTXSID7051761
• DTXCID6030316
• 6-methyl-hept-3,5-diene-2-one
• RAA64704
• NS00012898

The compound 6-Methylhepta-3,5-dien-2-one (CAS number: ) is primarily used as an odorant in perfumery, where it contributes distinctive green and fresh notes; it may be employed as a fragrance ingredient in cosmetics and personal care formulations; it can serve as an odorant additive in household products such as cleaners and air fresheners; and, as an intermediate in organic synthesis, it is used in the preparation of related fragrance chemicals and other specialty intermediates in industrial manufacturing.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	353.38
methanol	323.34
isopropanol	276.45
water	4.69
ethyl acetate	231.31
n-propanol	243.72
acetone	282.55
n-butanol	249.54
acetonitrile	260.07
DMF	320.72
toluene	102.16
isobutanol	176.14
1,4-dioxane	563.7
methyl acetate	219.84
THF	720.84
2-butanone	202.24
n-pentanol	166.74
sec-butanol	227.72
n-hexane	95.17
ethylene glycol	93.33
NMP	408.34
cyclohexane	115.29
DMSO	231.55
n-butyl acetate	192.91
n-octanol	187.48
chloroform	636.94
n-propyl acetate	131.04
acetic acid	328.84
dichloromethane	435.08
cyclohexanone	324.05
propylene glycol	158.29
isopropyl acetate	143.74
DMAc	319.78
2-ethoxyethanol	195.15
isopentanol	189.91
n-heptane	94.28
ethyl formate	148.48
1,2-dichloroethane	198.6
n-hexanol	275.8
2-methoxyethanol	342.97
isobutyl acetate	94.53
tetrachloromethane	119.32
n-pentyl acetate	128.63
transcutol	697.46
n-heptanol	138.64
ethylbenzene	81.68
MIBK	121.09
2-propoxyethanol	341.74
tert-butanol	348.62
MTBE	229.63
2-butoxyethanol	199.02
propionic acid	241.25
o-xylene	89.13
formic acid	104.33
diethyl ether	221.15
m-xylene	85.25
p-xylene	102.63
chlorobenzene	129.88
dimethyl carbonate	90.67
n-octane	32.23
formamide	125.05
cyclopentanone	366.62
2-pentanone	178.46
anisole	170.92
cyclopentyl methyl ether	294.65
gamma-butyrolactone	413.92
1-methoxy-2-propanol	277.55
pyridine	242.07
3-pentanone	141.86
furfural	305.0
n-dodecane	28.82
diethylene glycol	239.8
diisopropyl ether	85.47
tert-amyl alcohol	274.54
acetylacetone	206.39
n-hexadecane	30.8
acetophenone	142.68
methyl propionate	178.81
isopentyl acetate	168.78
trichloroethylene	364.18
n-nonanol	160.24
cyclohexanol	247.21
benzyl alcohol	122.8
2-ethylhexanol	180.61
isooctanol	107.23
dipropyl ether	206.3
1,2-dichlorobenzene	129.27
ethyl lactate	96.19
propylene carbonate	272.16
n-methylformamide	160.43
2-pentanol	176.54
n-pentane	84.57
1-propoxy-2-propanol	269.81
1-methoxy-2-propyl acetate	204.44
2-(2-methoxypropoxy) propanol	235.57
mesitylene	61.19
ε-caprolactone	307.14
p-cymene	84.28
epichlorohydrin	341.75
1,1,1-trichloroethane	260.21
2-aminoethanol	186.78
morpholine-4-carbaldehyde	443.24
sulfolane	373.82
2,2,4-trimethylpentane	38.86
2-methyltetrahydrofuran	477.04
n-hexyl acetate	239.5
isooctane	27.72
2-(2-butoxyethoxy)ethanol	307.32
sec-butyl acetate	102.74
tert-butyl acetate	165.23
decalin	56.81
glycerin	174.5
diglyme	425.0
acrylic acid	200.72
isopropyl myristate	113.32
n-butyric acid	284.95
acetyl acetate	171.12
di(2-ethylhexyl) phthalate	105.97
ethyl propionate	136.38
nitromethane	328.74
1,2-diethoxyethane	234.04
benzonitrile	152.73
trioctyl phosphate	83.63
1-bromopropane	165.0
gamma-valerolactone	439.56
n-decanol	120.72
triethyl phosphate	103.42
4-methyl-2-pentanol	106.49
propionitrile	179.1
vinylene carbonate	221.47
1,1,2-trichlorotrifluoroethane	299.94
DMS	171.22
cumene	67.26
2-octanol	108.19
2-hexanone	138.56
octyl acetate	148.75
limonene	139.02
1,2-dimethoxyethane	335.12
ethyl orthosilicate	97.75
tributyl phosphate	98.33
diacetone alcohol	203.41
N,N-dimethylaniline	132.4
acrylonitrile	185.3
aniline	140.17
1,3-propanediol	214.46
bromobenzene	121.26
dibromomethane	298.63
1,1,2,2-tetrachloroethane	334.96
2-methyl-cyclohexyl acetate	162.12
tetrabutyl urea	124.96
diisobutyl methanol	102.36
2-phenylethanol	155.09
styrene	92.9
dioctyl adipate	167.08
dimethyl sulfate	118.33
ethyl butyrate	162.69
methyl lactate	128.2
butyl lactate	123.51
diethyl carbonate	131.34
propanediol butyl ether	225.99
triethyl orthoformate	135.23
p-tert-butyltoluene	85.45
methyl 4-tert-butylbenzoate	179.64
morpholine	573.02
tert-butylamine	255.07
n-dodecanol	97.1
dimethoxymethane	222.78
ethylene carbonate	188.76
cyrene	179.63
2-ethoxyethyl acetate	168.7
2-ethylhexyl acetate	141.59
1,2,4-trichlorobenzene	163.62
4-methylpyridine	227.35
dibutyl ether	188.57
2,6-dimethyl-4-heptanol	102.36
DEF	219.21
dimethyl isosorbide	354.75
tetrachloroethylene	214.75
eugenol	162.58
triacetin	229.38
span 80	257.35
1,4-butanediol	88.62
1,1-dichloroethane	249.67
2-methyl-1-pentanol	137.35
methyl formate	126.64
2-methyl-1-butanol	180.59
n-decane	46.28
butyronitrile	213.28
3,7-dimethyl-1-octanol	158.5
1-chlorooctane	113.61
1-chlorotetradecane	54.22
n-nonane	46.47
undecane	35.28
tert-butylcyclohexane	53.84
cyclooctane	45.89
cyclopentanol	265.82
tetrahydropyran	470.22
tert-amyl methyl ether	187.97
2,5,8-trioxanonane	330.69
1-hexene	157.89
2-isopropoxyethanol	147.49
2,2,2-trifluoroethanol	127.51
methyl butyrate	163.51

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