Molecular formula
C10H18O2

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

Fragrance
Floral	57.46%
Citrus	52.96%
Herbal	49.38%
Fruity	44.65%
Sweet	38.94%
Green	38.17%
Fatty	38.12%
Woody	36.95%
Fresh	35.6%
Waxy	35.45%

 

Flavor
Green	66.45%
Woody	55.52%
Floral	48.95%
Fruity	48.44%
Sweet	48.4%
Herbal	42.37%
Citrus	41.03%
Lavender	35.68%
Tropical	34.63%
Bergamot	34.36%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
9.09 (weak base)

Molecular weight
170.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
255°C

Flash point

• 118.47 ˚C est.

2,2,6-Trimethylhept-5-enoic acid is a branched, unsaturated carboxylic acid that is typically used as an intermediate for the synthesis of specialty polymers and resins; it also serves as a building block for fragrance esters and aroma compounds used in perfumery and cosmetics; it can function as a monomer or additive in coatings, varnishes, and inks; in addition, it is evaluated as a chemical intermediate for other industrial formulations and may be used in cleaning product formulations depending on regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	647.14
methanol	709.54
isopropanol	526.82
water	2.25
ethyl acetate	252.76
n-propanol	448.22
acetone	235.96
n-butanol	498.29
acetonitrile	185.0
DMF	393.99
toluene	119.49
isobutanol	340.52
1,4-dioxane	523.35
methyl acetate	208.92
THF	639.29
2-butanone	263.29
n-pentanol	382.42
sec-butanol	505.97
n-hexane	86.96
ethylene glycol	84.1
NMP	371.15
cyclohexane	56.34
DMSO	290.32
n-butyl acetate	251.25
n-octanol	227.41
chloroform	484.06
n-propyl acetate	194.63
acetic acid	296.79
dichloromethane	317.56
cyclohexanone	299.1
propylene glycol	191.4
isopropyl acetate	188.32
DMAc	386.46
2-ethoxyethanol	428.84
isopentanol	472.77
n-heptane	37.01
ethyl formate	162.47
1,2-dichloroethane	193.02
n-hexanol	412.35
2-methoxyethanol	571.2
isobutyl acetate	140.27
tetrachloromethane	106.27
n-pentyl acetate	164.71
transcutol	1018.25
n-heptanol	239.01
ethylbenzene	121.09
MIBK	209.91
2-propoxyethanol	462.68
tert-butanol	707.55
MTBE	497.25
2-butoxyethanol	338.06
propionic acid	230.96
o-xylene	114.14
formic acid	179.05
diethyl ether	327.89
m-xylene	125.85
p-xylene	155.6
chlorobenzene	142.74
dimethyl carbonate	73.0
n-octane	16.87
formamide	246.61
cyclopentanone	306.63
2-pentanone	249.77
anisole	253.29
cyclopentyl methyl ether	292.67
gamma-butyrolactone	303.67
1-methoxy-2-propanol	496.11
pyridine	261.27
3-pentanone	154.63
furfural	307.68
n-dodecane	11.55
diethylene glycol	294.69
diisopropyl ether	135.59
tert-amyl alcohol	720.93
acetylacetone	198.21
n-hexadecane	12.68
acetophenone	200.08
methyl propionate	172.3
isopentyl acetate	270.75
trichloroethylene	378.21
n-nonanol	196.16
cyclohexanol	307.13
benzyl alcohol	217.82
2-ethylhexanol	256.23
isooctanol	203.61
dipropyl ether	173.82
1,2-dichlorobenzene	153.86
ethyl lactate	122.78
propylene carbonate	224.56
n-methylformamide	246.74
2-pentanol	392.75
n-pentane	62.87
1-propoxy-2-propanol	380.81
1-methoxy-2-propyl acetate	259.5
2-(2-methoxypropoxy) propanol	308.49
mesitylene	98.49
ε-caprolactone	318.8
p-cymene	87.46
epichlorohydrin	358.53
1,1,1-trichloroethane	233.47
2-aminoethanol	263.19
morpholine-4-carbaldehyde	456.93
sulfolane	310.22
2,2,4-trimethylpentane	53.7
2-methyltetrahydrofuran	532.56
n-hexyl acetate	264.43
isooctane	44.67
2-(2-butoxyethoxy)ethanol	423.79
sec-butyl acetate	173.93
tert-butyl acetate	261.71
decalin	52.23
glycerin	202.32
diglyme	579.09
acrylic acid	166.44
isopropyl myristate	95.01
n-butyric acid	337.8
acetyl acetate	129.89
di(2-ethylhexyl) phthalate	110.78
ethyl propionate	162.03
nitromethane	289.98
1,2-diethoxyethane	289.66
benzonitrile	172.78
trioctyl phosphate	81.49
1-bromopropane	167.36
gamma-valerolactone	443.73
n-decanol	133.26
triethyl phosphate	89.39
4-methyl-2-pentanol	268.43
propionitrile	189.52
vinylene carbonate	185.34
1,1,2-trichlorotrifluoroethane	319.37
DMS	125.23
cumene	107.31
2-octanol	169.86
2-hexanone	233.59
octyl acetate	128.87
limonene	125.71
1,2-dimethoxyethane	530.67
ethyl orthosilicate	104.16
tributyl phosphate	96.65
diacetone alcohol	349.07
N,N-dimethylaniline	210.3
acrylonitrile	175.52
aniline	205.42
1,3-propanediol	385.39
bromobenzene	129.68
dibromomethane	242.6
1,1,2,2-tetrachloroethane	378.43
2-methyl-cyclohexyl acetate	183.86
tetrabutyl urea	115.53
diisobutyl methanol	149.96
2-phenylethanol	231.8
styrene	125.72
dioctyl adipate	134.82
dimethyl sulfate	105.86
ethyl butyrate	177.6
methyl lactate	128.12
butyl lactate	171.5
diethyl carbonate	116.3
propanediol butyl ether	349.9
triethyl orthoformate	140.85
p-tert-butyltoluene	92.08
methyl 4-tert-butylbenzoate	207.54
morpholine	712.76
tert-butylamine	521.01
n-dodecanol	90.43
dimethoxymethane	258.75
ethylene carbonate	154.82
cyrene	259.51
2-ethoxyethyl acetate	201.66
2-ethylhexyl acetate	212.03
1,2,4-trichlorobenzene	191.36
4-methylpyridine	308.54
dibutyl ether	161.78
2,6-dimethyl-4-heptanol	149.96
DEF	281.22
dimethyl isosorbide	377.0
tetrachloroethylene	254.96
eugenol	210.16
triacetin	187.41
span 80	282.53
1,4-butanediol	174.52
1,1-dichloroethane	241.29
2-methyl-1-pentanol	409.1
methyl formate	135.79
2-methyl-1-butanol	431.21
n-decane	22.56
butyronitrile	255.46
3,7-dimethyl-1-octanol	232.12
1-chlorooctane	90.1
1-chlorotetradecane	31.41
n-nonane	21.72
undecane	15.49
tert-butylcyclohexane	63.49
cyclooctane	24.99
cyclopentanol	276.58
tetrahydropyran	468.66
tert-amyl methyl ether	377.14
2,5,8-trioxanonane	388.64
1-hexene	217.36
2-isopropoxyethanol	327.19
2,2,2-trifluoroethanol	98.53
methyl butyrate	214.41

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