Molecular formula
C8H14O2

SMILES
CCC=C(C)COC(=O)C

Fragrance
Fruity	96.19%
Green	71.79%
Banana	55.83%
Apple	53.96%
Sweet	50.21%
Ethereal	49.18%
Pear	44.57%
Fresh	44.11%
Tropical	41.1%
Pineapple	35.67%

 

Flavor
Fruity	74.95%
Sweet	63.87%
Green	49.7%
Banana	46.94%
Bitter	45.17%
Fruit	40.07%
Apple	39.63%
Fresh	36.11%
Lavender	34.61%
Tropical	34.51%

 

Odor impact est.
High

XLogP3-AA
2.0

pKa est.
9.29 (weak base)

Molecular weight
142.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
164°C

Flash point

• 60.02 ˚C est.

• MRX7SJW6HB
• 2-Penten-1-ol, 2-methyl-, 1-acetate
• DTXSID0051817
• 2-methyl-2-penten-1-yl acetate
• NS00100379

2-Penten-1-ol, 2-methyl-, 1-acetate is primarily used as an intermediate in chemical synthesis and as a fragrance/aroma ingredient. In perfumery, it contributes green/fruity notes as a fragrance component and can act as a precursor to other isoprenoid esters. In the flavor industry, it is evaluated as an aroma intermediate for flavor compounds. In cosmetics and personal care, it is used in fragrance formulations for products such as lotions, shampoos, and soaps. In industrial manufacturing, it serves as a building block to access other esters and aroma chemicals. In coatings, inks, and cleaning formulations, it may be employed as a solvent or processing aid depending on regulatory constraints. It can also function as a synthetic building block for functionalized monomers in polymer-related applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2104.33
methanol	2558.17
isopropanol	1865.56
water	7.71
ethyl acetate	587.22
n-propanol	1541.07
acetone	1138.73
n-butanol	1424.11
acetonitrile	864.54
DMF	1538.72
toluene	388.48
isobutanol	1157.35
1,4-dioxane	1412.25
methyl acetate	662.5
THF	1283.19
2-butanone	850.13
n-pentanol	915.13
sec-butanol	1510.89
n-hexane	287.4
ethylene glycol	488.04
NMP	1058.9
cyclohexane	194.92
DMSO	1098.62
n-butyl acetate	435.83
n-octanol	395.76
chloroform	1947.31
n-propyl acetate	334.48
acetic acid	1242.53
dichloromethane	1293.57
cyclohexanone	1007.29
propylene glycol	743.57
isopropyl acetate	392.15
DMAc	1328.38
2-ethoxyethanol	981.93
isopentanol	1131.67
n-heptane	74.01
ethyl formate	431.49
1,2-dichloroethane	715.3
n-hexanol	887.59
2-methoxyethanol	1659.69
isobutyl acetate	242.18
tetrachloromethane	368.25
n-pentyl acetate	289.93
transcutol	1869.19
n-heptanol	319.58
ethylbenzene	261.45
MIBK	406.37
2-propoxyethanol	985.56
tert-butanol	2053.9
MTBE	1217.57
2-butoxyethanol	491.76
propionic acid	881.89
o-xylene	286.73
formic acid	496.72
diethyl ether	890.32
m-xylene	286.63
p-xylene	320.92
chlorobenzene	428.68
dimethyl carbonate	175.59
n-octane	31.59
formamide	470.77
cyclopentanone	892.93
2-pentanone	636.77
anisole	467.32
cyclopentyl methyl ether	717.41
gamma-butyrolactone	832.26
1-methoxy-2-propanol	1159.36
pyridine	836.14
3-pentanone	433.5
furfural	757.16
n-dodecane	26.4
diethylene glycol	763.66
diisopropyl ether	225.49
tert-amyl alcohol	1622.47
acetylacetone	512.32
n-hexadecane	29.14
acetophenone	382.94
methyl propionate	431.37
isopentyl acetate	412.0
trichloroethylene	1326.13
n-nonanol	306.83
cyclohexanol	1007.31
benzyl alcohol	451.13
2-ethylhexanol	414.86
isooctanol	243.42
dipropyl ether	299.46
1,2-dichlorobenzene	380.19
ethyl lactate	229.81
propylene carbonate	489.53
n-methylformamide	697.74
2-pentanol	958.79
n-pentane	196.62
1-propoxy-2-propanol	613.74
1-methoxy-2-propyl acetate	376.85
2-(2-methoxypropoxy) propanol	482.41
mesitylene	175.5
ε-caprolactone	800.29
p-cymene	136.1
epichlorohydrin	935.94
1,1,1-trichloroethane	924.55
2-aminoethanol	957.56
morpholine-4-carbaldehyde	1108.23
sulfolane	949.77
2,2,4-trimethylpentane	98.87
2-methyltetrahydrofuran	1234.26
n-hexyl acetate	511.89
isooctane	62.55
2-(2-butoxyethoxy)ethanol	654.97
sec-butyl acetate	279.17
tert-butyl acetate	455.43
decalin	105.14
glycerin	739.26
diglyme	921.19
acrylic acid	721.46
isopropyl myristate	162.35
n-butyric acid	1007.06
acetyl acetate	323.05
di(2-ethylhexyl) phthalate	189.6
ethyl propionate	298.76
nitromethane	1036.31
1,2-diethoxyethane	537.97
benzonitrile	503.28
trioctyl phosphate	131.6
1-bromopropane	711.47
gamma-valerolactone	1078.21
n-decanol	210.13
triethyl phosphate	145.75
4-methyl-2-pentanol	439.41
propionitrile	699.27
vinylene carbonate	457.89
1,1,2-trichlorotrifluoroethane	931.99
DMS	299.04
cumene	180.07
2-octanol	236.53
2-hexanone	471.71
octyl acetate	224.06
limonene	234.58
1,2-dimethoxyethane	1192.72
ethyl orthosilicate	156.84
tributyl phosphate	168.98
diacetone alcohol	613.56
N,N-dimethylaniline	340.73
acrylonitrile	720.0
aniline	571.02
1,3-propanediol	1138.75
bromobenzene	428.42
dibromomethane	1000.52
1,1,2,2-tetrachloroethane	1272.77
2-methyl-cyclohexyl acetate	265.1
tetrabutyl urea	207.25
diisobutyl methanol	203.37
2-phenylethanol	403.72
styrene	309.84
dioctyl adipate	236.62
dimethyl sulfate	297.84
ethyl butyrate	260.49
methyl lactate	312.08
butyl lactate	263.93
diethyl carbonate	179.24
propanediol butyl ether	584.75
triethyl orthoformate	201.22
p-tert-butyltoluene	138.47
methyl 4-tert-butylbenzoate	324.29
morpholine	1746.65
tert-butylamine	1340.04
n-dodecanol	151.75
dimethoxymethane	631.73
ethylene carbonate	377.72
cyrene	386.82
2-ethoxyethyl acetate	371.33
2-ethylhexyl acetate	323.65
1,2,4-trichlorobenzene	488.17
4-methylpyridine	920.46
dibutyl ether	330.98
2,6-dimethyl-4-heptanol	203.37
DEF	785.74
dimethyl isosorbide	532.37
tetrachloroethylene	819.34
eugenol	353.52
triacetin	390.48
span 80	457.64
1,4-butanediol	484.8
1,1-dichloroethane	1032.62
2-methyl-1-pentanol	809.28
methyl formate	434.18
2-methyl-1-butanol	1138.8
n-decane	46.46
butyronitrile	834.05
3,7-dimethyl-1-octanol	369.31
1-chlorooctane	202.47
1-chlorotetradecane	71.04
n-nonane	48.77
undecane	33.56
tert-butylcyclohexane	111.33
cyclooctane	56.91
cyclopentanol	979.64
tetrahydropyran	1304.5
tert-amyl methyl ether	821.8
2,5,8-trioxanonane	643.18
1-hexene	714.41
2-isopropoxyethanol	637.19
2,2,2-trifluoroethanol	348.85
methyl butyrate	433.1

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