Molecular formula
C14H20O

SMILES
CCCCCC(CC1=CC=CC=C1)C=O

Fragrance
Green	62.01%
Floral	60.95%
Fruity	53.18%
Waxy	49.61%
Aldehydic	47.73%
Citrus	47.24%
Fresh	47.07%
Sweet	43.45%
Fatty	39.49%
Herbal	37.83%

 

Flavor
Green	71.13%
Waxy	52.52%
Fresh	52.49%
Floral	50.65%
Herbal	39.27%
Oily	31.95%
Fatty	30.66%
Leaf	29.4%
Jasmin	28.46%
Sweet	28.18%

 

Odor impact est.
Medium

XLogP3-AA
4.2

pKa est.
7.15 (neutral)

Molecular weight
204.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
280°C

Flash point

• 135.56 ˚C est.

• 2-benzylheptan-1-al
• SCHEMBL1827653

2-Benzylheptan-1-al (CAS number: ) is a long-chain aldehyde primarily used as a fragrance ingredient and synthesis intermediate in perfumery and cosmetics, and is also evaluated as an aroma intermediate for household fragrance formulations. It is commonly employed as a building block for the synthesis of aroma compounds and additives for coatings and inks, and can serve as a precursor for specialty chemicals used in plastics and polymers. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	9117.38
methanol	8515.6
isopropanol	5790.67
water	0.07
ethyl acetate	16432.12
n-propanol	7233.04
acetone	14516.86
n-butanol	5770.79
acetonitrile	12024.07
DMF	9101.23
toluene	3525.41
isobutanol	4161.71
1,4-dioxane	8622.73
methyl acetate	8565.63
THF	8074.36
2-butanone	10727.09
n-pentanol	3023.49
sec-butanol	4256.14
n-hexane	572.95
ethylene glycol	481.97
NMP	3473.31
cyclohexane	774.82
DMSO	9319.93
n-butyl acetate	6678.32
n-octanol	524.2
chloroform	12615.79
n-propyl acetate	6131.32
acetic acid	2688.86
dichloromethane	17855.86
cyclohexanone	9013.62
propylene glycol	962.29
isopropyl acetate	6741.52
DMAc	4405.56
2-ethoxyethanol	3899.68
isopentanol	4005.74
n-heptane	199.33
ethyl formate	4762.0
1,2-dichloroethane	16229.07
n-hexanol	2966.32
2-methoxyethanol	7651.2
isobutyl acetate	2653.75
tetrachloromethane	1270.03
n-pentyl acetate	1859.98
transcutol	12100.79
n-heptanol	661.61
ethylbenzene	1359.45
MIBK	3834.37
2-propoxyethanol	4552.33
tert-butanol	4442.12
MTBE	6955.03
2-butoxyethanol	1539.06
propionic acid	3535.88
o-xylene	1162.1
formic acid	566.01
diethyl ether	12754.96
m-xylene	1526.91
p-xylene	1289.41
chlorobenzene	4143.05
dimethyl carbonate	1864.86
n-octane	62.26
formamide	1707.92
cyclopentanone	7872.33
2-pentanone	9904.62
anisole	2910.32
cyclopentyl methyl ether	5242.57
gamma-butyrolactone	7341.71
1-methoxy-2-propanol	5362.04
pyridine	8384.31
3-pentanone	6150.9
furfural	4641.39
n-dodecane	38.61
diethylene glycol	1949.7
diisopropyl ether	2036.31
tert-amyl alcohol	3043.81
acetylacetone	6955.89
n-hexadecane	48.18
acetophenone	2201.48
methyl propionate	8946.01
isopentyl acetate	4493.36
trichloroethylene	18800.59
n-nonanol	455.84
cyclohexanol	3263.45
benzyl alcohol	1815.14
2-ethylhexanol	1526.16
isooctanol	556.52
dipropyl ether	3492.66
1,2-dichlorobenzene	2956.28
ethyl lactate	1048.82
propylene carbonate	3734.69
n-methylformamide	5362.92
2-pentanol	3495.21
n-pentane	415.65
1-propoxy-2-propanol	3440.39
1-methoxy-2-propyl acetate	4423.85
2-(2-methoxypropoxy) propanol	1095.66
mesitylene	763.09
ε-caprolactone	6467.6
p-cymene	493.95
epichlorohydrin	11890.52
1,1,1-trichloroethane	8477.33
2-aminoethanol	1814.87
morpholine-4-carbaldehyde	4257.99
sulfolane	5745.17
2,2,4-trimethylpentane	148.0
2-methyltetrahydrofuran	7814.38
n-hexyl acetate	1993.22
isooctane	139.71
2-(2-butoxyethoxy)ethanol	1973.49
sec-butyl acetate	3378.17
tert-butyl acetate	4398.47
decalin	282.6
glycerin	774.39
diglyme	4509.16
acrylic acid	1955.64
isopropyl myristate	613.99
n-butyric acid	6893.07
acetyl acetate	4212.02
di(2-ethylhexyl) phthalate	396.82
ethyl propionate	5077.32
nitromethane	8391.61
1,2-diethoxyethane	6354.24
benzonitrile	3092.05
trioctyl phosphate	292.41
1-bromopropane	8918.49
gamma-valerolactone	8880.2
n-decanol	326.36
triethyl phosphate	720.84
4-methyl-2-pentanol	1290.2
propionitrile	7842.18
vinylene carbonate	3202.59
1,1,2-trichlorotrifluoroethane	4033.14
DMS	1776.83
cumene	613.1
2-octanol	393.4
2-hexanone	5009.69
octyl acetate	711.81
limonene	873.32
1,2-dimethoxyethane	7164.83
ethyl orthosilicate	746.46
tributyl phosphate	489.37
diacetone alcohol	3040.99
N,N-dimethylaniline	1161.5
acrylonitrile	7643.8
aniline	3397.88
1,3-propanediol	3053.83
bromobenzene	4716.58
dibromomethane	11239.56
1,1,2,2-tetrachloroethane	13048.87
2-methyl-cyclohexyl acetate	1330.2
tetrabutyl urea	580.71
diisobutyl methanol	720.19
2-phenylethanol	1665.85
styrene	2255.56
dioctyl adipate	803.91
dimethyl sulfate	1886.61
ethyl butyrate	3866.06
methyl lactate	1436.41
butyl lactate	1087.64
diethyl carbonate	1881.4
propanediol butyl ether	1044.81
triethyl orthoformate	1644.7
p-tert-butyltoluene	441.44
methyl 4-tert-butylbenzoate	877.98
morpholine	11882.21
tert-butylamine	2868.73
n-dodecanol	238.23
dimethoxymethane	7632.23
ethylene carbonate	3196.38
cyrene	794.93
2-ethoxyethyl acetate	2718.59
2-ethylhexyl acetate	3013.14
1,2,4-trichlorobenzene	3129.31
4-methylpyridine	8615.51
dibutyl ether	2061.41
2,6-dimethyl-4-heptanol	720.19
DEF	8852.3
dimethyl isosorbide	1949.46
tetrachloroethylene	7566.42
eugenol	895.65
triacetin	1430.33
span 80	821.73
1,4-butanediol	839.02
1,1-dichloroethane	14183.5
2-methyl-1-pentanol	2158.24
methyl formate	3091.44
2-methyl-1-butanol	3449.01
n-decane	76.0
butyronitrile	8149.38
3,7-dimethyl-1-octanol	760.8
1-chlorooctane	551.3
1-chlorotetradecane	161.42
n-nonane	79.21
undecane	51.96
tert-butylcyclohexane	245.13
cyclooctane	188.55
cyclopentanol	2545.73
tetrahydropyran	11620.08
tert-amyl methyl ether	3460.93
2,5,8-trioxanonane	2102.45
1-hexene	3281.91
2-isopropoxyethanol	2540.9
2,2,2-trifluoroethanol	640.42
methyl butyrate	6992.93

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