Molecular formula
C10H16O2

SMILES
CCCCCCCC1=C(O1)C=O

Fragrance
Fatty	58.33%
Fruity	52.76%
Peach	41.68%
Lactonic	41.26%
Waxy	39.35%
Buttery	38.76%
Green	34.59%
Oily	34.38%
Dairy	33.23%
Milky	32.89%

 

Flavor
Herbal	51.4%
Waxy	43.95%
Oily	41.57%
Fatty	41.24%
Fruity	34.73%
Creamy	32.27%
Fresh	31.92%
Fat	30.67%
Mushroom	29.58%
Coconut	28.71%

 

Odor impact est.
High

XLogP3-AA
3.1

pKa est.
7.01 (neutral)

Molecular weight
168.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
238°C

Flash point

• 99.26 ˚C est.

• SCHEMBL309589

3-Heptyloxirene-2-carbaldehyde is primarily used as an aroma- and fragrance-related intermediate. It may be employed as a fragrance ingredient or odorant in perfumery and cosmetics, contributing to specific scent notes through its aromatic aldehyde functionality. It can also find applications in household products, air fresheners, and cleaners as a fragrance component. In industrial manufacturing it serves as an intermediate for the synthesis of specialty chemicals and may be used in coatings and inks to achieve a desired odor profile. Its use is typically governed by regulatory limits and formulation constraints, depending on local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1563.03
methanol	1536.11
isopropanol	871.02
water	0.03
ethyl acetate	2340.1
n-propanol	1024.26
acetone	3637.97
n-butanol	794.38
acetonitrile	2008.48
DMF	2290.28
toluene	484.37
isobutanol	633.79
1,4-dioxane	1643.64
methyl acetate	1862.93
THF	2961.09
2-butanone	2430.17
n-pentanol	525.06
sec-butanol	674.95
n-hexane	37.47
ethylene glycol	230.64
NMP	1268.1
cyclohexane	71.86
DMSO	3630.37
n-butyl acetate	1096.14
n-octanol	98.85
chloroform	2814.72
n-propyl acetate	1079.12
acetic acid	1273.73
dichloromethane	3517.96
cyclohexanone	2171.59
propylene glycol	375.78
isopropyl acetate	1140.63
DMAc	1300.57
2-ethoxyethanol	1184.97
isopentanol	645.62
n-heptane	16.89
ethyl formate	879.69
1,2-dichloroethane	2829.76
n-hexanol	450.47
2-methoxyethanol	2121.59
isobutyl acetate	574.26
tetrachloromethane	208.17
n-pentyl acetate	384.65
transcutol	3724.22
n-heptanol	111.92
ethylbenzene	211.47
MIBK	836.13
2-propoxyethanol	1138.36
tert-butanol	927.01
MTBE	1076.73
2-butoxyethanol	385.92
propionic acid	923.62
o-xylene	187.36
formic acid	354.82
diethyl ether	1391.71
m-xylene	254.39
p-xylene	251.65
chlorobenzene	808.24
dimethyl carbonate	408.43
n-octane	7.09
formamide	838.51
cyclopentanone	2575.91
2-pentanone	1676.97
anisole	673.2
cyclopentyl methyl ether	1095.87
gamma-butyrolactone	2441.44
1-methoxy-2-propanol	1375.28
pyridine	2092.21
3-pentanone	1024.59
furfural	1711.04
n-dodecane	6.63
diethylene glycol	920.42
diisopropyl ether	273.71
tert-amyl alcohol	630.79
acetylacetone	1928.42
n-hexadecane	8.26
acetophenone	634.88
methyl propionate	1414.75
isopentyl acetate	858.21
trichloroethylene	4471.39
n-nonanol	92.46
cyclohexanol	589.09
benzyl alcohol	559.74
2-ethylhexanol	223.51
isooctanol	103.5
dipropyl ether	341.12
1,2-dichlorobenzene	655.01
ethyl lactate	333.58
propylene carbonate	1021.4
n-methylformamide	1310.91
2-pentanol	477.07
n-pentane	31.42
1-propoxy-2-propanol	696.79
1-methoxy-2-propyl acetate	1069.76
2-(2-methoxypropoxy) propanol	441.16
mesitylene	140.97
ε-caprolactone	1578.85
p-cymene	100.83
epichlorohydrin	3442.09
1,1,1-trichloroethane	1615.41
2-aminoethanol	556.24
morpholine-4-carbaldehyde	1453.78
sulfolane	2344.96
2,2,4-trimethylpentane	22.05
2-methyltetrahydrofuran	1967.58
n-hexyl acetate	471.16
isooctane	21.08
2-(2-butoxyethoxy)ethanol	654.06
sec-butyl acetate	681.43
tert-butyl acetate	1060.26
decalin	40.13
glycerin	445.79
diglyme	1387.38
acrylic acid	734.34
isopropyl myristate	155.33
n-butyric acid	1305.44
acetyl acetate	946.19
di(2-ethylhexyl) phthalate	140.18
ethyl propionate	835.14
nitromethane	3167.7
1,2-diethoxyethane	1060.97
benzonitrile	763.04
trioctyl phosphate	87.51
1-bromopropane	1226.2
gamma-valerolactone	2665.21
n-decanol	66.89
triethyl phosphate	182.11
4-methyl-2-pentanol	254.73
propionitrile	1198.65
vinylene carbonate	865.64
1,1,2-trichlorotrifluoroethane	1723.55
DMS	620.18
cumene	123.53
2-octanol	75.1
2-hexanone	990.84
octyl acetate	177.96
limonene	149.89
1,2-dimethoxyethane	1730.24
ethyl orthosilicate	175.7
tributyl phosphate	141.52
diacetone alcohol	1041.66
N,N-dimethylaniline	290.11
acrylonitrile	1635.06
aniline	669.96
1,3-propanediol	827.28
bromobenzene	907.32
dibromomethane	2101.84
1,1,2,2-tetrachloroethane	2800.23
2-methyl-cyclohexyl acetate	343.34
tetrabutyl urea	176.07
diisobutyl methanol	146.3
2-phenylethanol	446.83
styrene	347.79
dioctyl adipate	247.46
dimethyl sulfate	607.22
ethyl butyrate	563.45
methyl lactate	482.13
butyl lactate	305.74
diethyl carbonate	345.53
propanediol butyl ether	403.09
triethyl orthoformate	311.61
p-tert-butyltoluene	97.31
methyl 4-tert-butylbenzoate	285.63
morpholine	2455.02
tert-butylamine	467.92
n-dodecanol	50.59
dimethoxymethane	1388.81
ethylene carbonate	747.62
cyrene	382.51
2-ethoxyethyl acetate	830.22
2-ethylhexyl acetate	575.4
1,2,4-trichlorobenzene	833.13
4-methylpyridine	1603.1
dibutyl ether	266.28
2,6-dimethyl-4-heptanol	146.3
DEF	1396.89
dimethyl isosorbide	722.93
tetrachloroethylene	1515.09
eugenol	315.05
triacetin	469.13
span 80	301.85
1,4-butanediol	283.24
1,1-dichloroethane	2415.59
2-methyl-1-pentanol	443.0
methyl formate	834.4
2-methyl-1-butanol	539.95
n-decane	10.91
butyronitrile	1095.35
3,7-dimethyl-1-octanol	174.06
1-chlorooctane	91.7
1-chlorotetradecane	32.28
n-nonane	9.74
undecane	8.31
tert-butylcyclohexane	35.76
cyclooctane	17.09
cyclopentanol	677.06
tetrahydropyran	1927.27
tert-amyl methyl ether	611.48
2,5,8-trioxanonane	745.08
1-hexene	278.27
2-isopropoxyethanol	729.69
2,2,2-trifluoroethanol	292.16
methyl butyrate	1123.09

Scent© AI