Molecular formula
C22H38O4

SMILES
CC(CCC=C(C)C)CCOC(=O)C(=O)OCCC(C)CCC=C(C)C

Fragrance
Floral	87.92%
Rose	72.01%
Sweet	54.23%
Waxy	53.39%
Lily	43.99%
Green	42.77%
Muguet	41.2%
Fresh	37.81%
Citrus	35.06%
Fruity	33.55%

 

Flavor
Fruity	41.07%
Floral	38.41%
Waxy	36.04%
Rose	34.47%
Herbal	31.01%
Sweet	30.96%
Geranium	29.72%
Green	29.12%
Oily	28.42%
Bitter	26.92%

 

Odor impact est.
Low

XLogP3-AA
7.7

pKa est.
6.4 (neutral)

Molecular weight
366.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
380°C

Flash point

• 170.1 ˚C est.

• citronellyl oxalate
• SCHEMBL6560209
• Q65224830

Citronellyl oxalate is primarily used as a fragrance ingredient in perfumery and cosmetics, and may function as a fixative due to its moderate volatility. In cosmetics and personal care, it is formulated into perfumes, creams, lotions, and body washes to deliver a refined, long-lasting floral–citrus note. In household products, it is commonly employed as a fragrance additive in air fresheners, cleaners, and laundry products to enhance scent profiles. In coatings and inks, it can be used as a fragrance additive to impart or reinforce aroma in scented coatings and printed materials. Additionally, citronellyl oxalate is often evaluated as an intermediate in the synthesis of other citronellol-derived esters for fragrance applications, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	61.74
methanol	43.02
isopropanol	63.43
water	0.03
ethyl acetate	350.16
n-propanol	84.76
acetone	227.25
n-butanol	100.07
acetonitrile	79.97
DMF	225.88
toluene	278.91
isobutanol	77.55
1,4-dioxane	282.87
methyl acetate	225.19
THF	827.93
2-butanone	344.41
n-pentanol	107.28
sec-butanol	127.23
n-hexane	45.46
ethylene glycol	3.26
NMP	719.61
cyclohexane	95.12
DMSO	258.77
n-butyl acetate	269.41
n-octanol	77.72
chloroform	943.11
n-propyl acetate	252.94
acetic acid	122.04
dichloromethane	913.96
cyclohexanone	701.92
propylene glycol	15.69
isopropyl acetate	261.62
DMAc	566.37
2-ethoxyethanol	182.07
isopentanol	122.1
n-heptane	23.63
ethyl formate	109.52
1,2-dichloroethane	659.54
n-hexanol	102.22
2-methoxyethanol	149.86
isobutyl acetate	164.29
tetrachloromethane	158.25
n-pentyl acetate	297.49
transcutol	822.99
n-heptanol	84.73
ethylbenzene	160.82
MIBK	221.46
2-propoxyethanol	190.21
tert-butanol	119.81
MTBE	238.41
2-butoxyethanol	187.54
propionic acid	103.58
o-xylene	208.7
formic acid	21.65
diethyl ether	225.63
m-xylene	194.32
p-xylene	210.67
chlorobenzene	382.69
dimethyl carbonate	83.67
n-octane	12.85
formamide	55.44
cyclopentanone	702.4
2-pentanone	341.24
anisole	255.74
cyclopentyl methyl ether	541.69
gamma-butyrolactone	571.91
1-methoxy-2-propanol	180.05
pyridine	437.38
3-pentanone	309.57
furfural	425.01
n-dodecane	6.71
diethylene glycol	57.87
diisopropyl ether	102.88
tert-amyl alcohol	191.57
acetylacetone	378.56
n-hexadecane	8.26
acetophenone	297.75
methyl propionate	252.8
isopentyl acetate	281.96
trichloroethylene	1250.82
n-nonanol	84.12
cyclohexanol	222.82
benzyl alcohol	169.83
2-ethylhexanol	102.33
isooctanol	90.38
dipropyl ether	129.3
1,2-dichlorobenzene	382.43
ethyl lactate	97.84
propylene carbonate	329.76
n-methylformamide	86.5
2-pentanol	117.58
n-pentane	31.1
1-propoxy-2-propanol	191.2
1-methoxy-2-propyl acetate	307.33
2-(2-methoxypropoxy) propanol	203.99
mesitylene	125.27
ε-caprolactone	646.47
p-cymene	89.94
epichlorohydrin	902.03
1,1,1-trichloroethane	650.85
2-aminoethanol	20.09
morpholine-4-carbaldehyde	430.91
sulfolane	753.7
2,2,4-trimethylpentane	35.26
2-methyltetrahydrofuran	744.27
n-hexyl acetate	317.09
isooctane	17.26
2-(2-butoxyethoxy)ethanol	272.25
sec-butyl acetate	232.9
tert-butyl acetate	330.06
decalin	57.22
glycerin	20.21
diglyme	525.15
acrylic acid	75.86
isopropyl myristate	92.59
n-butyric acid	213.58
acetyl acetate	192.39
di(2-ethylhexyl) phthalate	87.56
ethyl propionate	226.77
nitromethane	264.54
1,2-diethoxyethane	321.5
benzonitrile	178.3
trioctyl phosphate	58.89
1-bromopropane	389.1
gamma-valerolactone	740.82
n-decanol	53.82
triethyl phosphate	104.36
4-methyl-2-pentanol	77.85
propionitrile	96.88
vinylene carbonate	227.85
1,1,2-trichlorotrifluoroethane	410.99
DMS	197.97
cumene	103.64
2-octanol	74.28
2-hexanone	264.66
octyl acetate	122.62
limonene	156.15
1,2-dimethoxyethane	303.76
ethyl orthosilicate	111.88
tributyl phosphate	76.82
diacetone alcohol	309.71
N,N-dimethylaniline	191.35
acrylonitrile	95.11
aniline	241.51
1,3-propanediol	45.26
bromobenzene	435.66
dibromomethane	627.54
1,1,2,2-tetrachloroethane	1136.72
2-methyl-cyclohexyl acetate	216.61
tetrabutyl urea	115.48
diisobutyl methanol	69.64
2-phenylethanol	165.73
styrene	175.16
dioctyl adipate	149.04
dimethyl sulfate	181.08
ethyl butyrate	208.62
methyl lactate	89.6
butyl lactate	169.0
diethyl carbonate	116.98
propanediol butyl ether	123.88
triethyl orthoformate	157.66
p-tert-butyltoluene	90.34
methyl 4-tert-butylbenzoate	239.55
morpholine	445.94
tert-butylamine	88.55
n-dodecanol	35.8
dimethoxymethane	199.52
ethylene carbonate	195.18
cyrene	219.21
2-ethoxyethyl acetate	370.35
2-ethylhexyl acetate	246.03
1,2,4-trichlorobenzene	489.29
4-methylpyridine	500.37
dibutyl ether	137.26
2,6-dimethyl-4-heptanol	69.64
DEF	414.78
dimethyl isosorbide	442.87
tetrachloroethylene	603.09
eugenol	187.24
triacetin	269.0
span 80	184.7
1,4-butanediol	26.62
1,1-dichloroethane	564.41
2-methyl-1-pentanol	143.49
methyl formate	66.02
2-methyl-1-butanol	138.58
n-decane	15.07
butyronitrile	128.13
3,7-dimethyl-1-octanol	95.69
1-chlorooctane	94.43
1-chlorotetradecane	26.87
n-nonane	14.3
undecane	9.49
tert-butylcyclohexane	42.56
cyclooctane	34.6
cyclopentanol	188.05
tetrahydropyran	505.31
tert-amyl methyl ether	273.2
2,5,8-trioxanonane	301.32
1-hexene	123.33
2-isopropoxyethanol	157.5
2,2,2-trifluoroethanol	47.06
methyl butyrate	296.78

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