CAS number
505-57-7

Molecular formula
C6H10O

SMILES
CCC/C=C/C=O

Safety labels

Retention indicies (RI)

• DB5: 857.0
• Carbowax: 1216.0

Fragrance
Green	92.66%
Fruity	90.25%
Fatty	76.95%
Pungent	69.74%
Fresh	66.86%
Aldehydic	62.98%
Vegetable	62.52%
Sweet	58.75%
Grassy	58.58%
Apple	57.37%

 

Flavor
Green	91.6%
Fatty	77.13%
Fruity	74.82%
Fat	60.94%
Apple	59.18%
Vegetable	58.5%
Almond	57.28%
Fresh	49.86%
Sweet	49.27%
Pungent	47.79%

 

Odor impact est.
High

XLogP3-AA
1.5

pKa est.
7.69 (neutral)

Molecular weight
98.14 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point

• 47.00 °C. @ 17.00 mm Hg

Flash point

• 42.52 ˚C est.

Solubility expt.

• Soluble in propylene glycol and most fixed oils; Very slightly soluble in water
• Soluble (in ethanol)

• trans-2-Hexenal
• 6728-26-3
• 2-HEXENAL
• (E)-Hex-2-enal
• Leaf aldehyde
• trans-2-Hexen-1-al
• (E)-2-HEXENAL
• 505-57-7
• Hex-2-enal
• beta-Propyl acrolein
• 2-trans-Hexenal
• Hexylenic aldehyde
• Hex-2-en-1-al
• trans-Hex-2-enal
• 2-Hexenal, (E)-
• beta-Propylacrolein
• 2-Hexenal, (2E)-
• (2E)-2-Hexenal
• 3-propyl acrolein
• (2E)-hex-2-enal
• alpha,beta-Hexylenaldehyde
• (2e)-hexenal
• FEMA No. 2560
• 3-Propylacrolein
• MFCD00007008
• Trans-?2-?Hexenal
• hexen-2-al
• 69JX3AIR1I
• DTXSID1041425
• trans-2-Hexenal-D2
• trans-2-Hexenal-D4
• (E)-2-hexen-1-al
• 2-hexenaldehyde
• DTXCID9021425
• Hexenal, (E)-
• 3-propyl-acrolein
• hexen-2-en-1-al
• CAS-6728-26-3
• 2-hexenal, E
• alpha.beta-Hexylenaldehyd
• n-C3H7CH=CHCHO
• CCRIS 3508
• CCRIS 4565
• trans-2-Hexen-1-al, natural, >=95%, FG
• 2-hexenal, Z-isomer
• trans-2-Hexenal (leaf aldehyde)
• EINECS 208-014-0
• EINECS 229-778-1
• UNII-69JX3AIR1I
• CHEBI:19591
• BRN 1699684
• BRN 1740988
• AI3-24649
• AI3-35157
• trans-2-Hexenal (leaf aldehyde) (natural)
• trans-2 hexenal
• Trans-2-exenal
• trans-3-Propylacrolein
• (E)-hex--2-enal
• 4-Hexenal,(4E)-
• trans-2-Hexenyl Aldehyde
• trans-2-Hexenal, 96%
• GREEN LEAF ALDEHYDE
• bmse000536
• 2-HEXENAL [FHFI]
• 2-HEXENAL, TRANS-
• 3-01-00-02993 (Beilstein Handbook Reference)
• 4-01-00-03468 (Beilstein Handbook Reference)
• .BETA.-PROPYL ACROLEIN
• trans-2-Hexen-1-al, 98%
• CHEMBL2228570
• CHEBI:28913
• FEMA 2560
• MBDOYVRWFFCFHM-SNAWJCMRSA-
• Tox21_201286
• Tox21_303390
• LMFA06000002
• s6303
• (E)-2-HEXEN-1-AL [FCC]
• AKOS015899831
• FH11966
• .ALPHA.-.BETA.-HEXYLENEALDEHYDE
• NCGC00249015-01
• NCGC00257483-01
• NCGC00258838-01
• trans-2-Hexen-1-al, analytical standard
• DB-003793
• HY-128429
• CS-0099263
• H0345
• NS00012564
• trans-2-Hexen-1-al, >=95%, FCC, FG
• C08497
• EN300-130761
• EN300-373462
• A835690
• Q209405
• Z2941218207
• InChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+

2-Hexenal (CAS 505-57-7) is primarily used as an odorant in fragrance and cosmetic applications, providing a green, fresh note characteristic of leafy aromas. It is also employed as a flavoring component in food formulations, typically at low levels to contribute a green, herbaceous character. In household and personal care products, it serves as a fragrance ingredient to impart a clean, plant-like aroma. In industrial manufacturing, it may function as an intermediate in the synthesis of other fragrance and flavor compounds. It is important to note that use is subject to local regulations and formulation limits.

Solvent	Solubility (g/L)
ethanol	992.25
methanol	820.74
isopropanol	669.4
water	0.46
ethyl acetate	907.33
n-propanol	670.39
acetone	1461.23
n-butanol	681.37
acetonitrile	627.82
DMF	1440.62
toluene	185.48
isobutanol	465.72
1,4-dioxane	817.03
methyl acetate	700.25
THF	1757.97
2-butanone	883.61
n-pentanol	379.11
sec-butanol	496.4
n-hexane	103.62
ethylene glycol	193.61
NMP	1423.31
cyclohexane	133.95
DMSO	1943.21
n-butyl acetate	819.81
n-octanol	211.55
chloroform	1253.84
n-propyl acetate	446.89
acetic acid	981.67
dichloromethane	1555.0
cyclohexanone	1251.8
propylene glycol	248.15
isopropyl acetate	433.55
DMAc	586.27
2-ethoxyethanol	398.65
isopentanol	493.79
n-heptane	98.76
ethyl formate	480.22
1,2-dichloroethane	1111.26
n-hexanol	617.13
2-methoxyethanol	866.31
isobutyl acetate	267.03
tetrachloromethane	225.75
n-pentyl acetate	328.75
transcutol	1990.97
n-heptanol	195.93
ethylbenzene	119.22
MIBK	382.61
2-propoxyethanol	774.86
tert-butanol	658.83
MTBE	477.46
2-butoxyethanol	336.35
propionic acid	711.24
o-xylene	130.23
formic acid	207.75
diethyl ether	579.45
m-xylene	159.42
p-xylene	141.8
chlorobenzene	429.14
dimethyl carbonate	207.79
n-octane	31.49
formamide	308.83
cyclopentanone	1723.39
2-pentanone	788.68
anisole	262.65
cyclopentyl methyl ether	713.12
gamma-butyrolactone	1783.67
1-methoxy-2-propanol	680.27
pyridine	764.2
3-pentanone	496.72
furfural	1055.38
n-dodecane	25.31
diethylene glycol	526.47
diisopropyl ether	165.77
tert-amyl alcohol	466.33
acetylacetone	796.36
n-hexadecane	28.42
acetophenone	278.2
methyl propionate	643.8
isopentyl acetate	591.8
trichloroethylene	1926.99
n-nonanol	177.61
cyclohexanol	523.85
benzyl alcohol	221.16
2-ethylhexanol	336.66
isooctanol	153.76
dipropyl ether	413.21
1,2-dichlorobenzene	402.4
ethyl lactate	192.48
propylene carbonate	813.24
n-methylformamide	691.91
2-pentanol	434.63
n-pentane	94.98
1-propoxy-2-propanol	636.26
1-methoxy-2-propyl acetate	600.55
2-(2-methoxypropoxy) propanol	367.71
mesitylene	116.63
ε-caprolactone	892.49
p-cymene	128.05
epichlorohydrin	1457.54
1,1,1-trichloroethane	892.31
2-aminoethanol	340.68
morpholine-4-carbaldehyde	904.27
sulfolane	2028.47
2,2,4-trimethylpentane	40.68
2-methyltetrahydrofuran	1295.1
n-hexyl acetate	491.21
isooctane	40.71
2-(2-butoxyethoxy)ethanol	523.56
sec-butyl acetate	274.41
tert-butyl acetate	445.74
decalin	61.9
glycerin	301.32
diglyme	836.69
acrylic acid	567.26
isopropyl myristate	176.55
n-butyric acid	985.58
acetyl acetate	431.65
di(2-ethylhexyl) phthalate	158.16
ethyl propionate	383.82
nitromethane	1419.15
1,2-diethoxyethane	607.09
benzonitrile	379.48
trioctyl phosphate	134.32
1-bromopropane	631.8
gamma-valerolactone	1438.73
n-decanol	138.79
triethyl phosphate	162.6
4-methyl-2-pentanol	213.27
propionitrile	510.22
vinylene carbonate	618.67
1,1,2-trichlorotrifluoroethane	810.55
DMS	357.75
cumene	91.98
2-octanol	142.84
2-hexanone	493.42
octyl acetate	224.74
limonene	228.91
1,2-dimethoxyethane	677.38
ethyl orthosilicate	156.31
tributyl phosphate	173.25
diacetone alcohol	541.48
N,N-dimethylaniline	169.67
acrylonitrile	640.55
aniline	273.36
1,3-propanediol	511.81
bromobenzene	443.84
dibromomethane	993.61
1,1,2,2-tetrachloroethane	1242.25
2-methyl-cyclohexyl acetate	305.29
tetrabutyl urea	225.74
diisobutyl methanol	199.4
2-phenylethanol	309.82
styrene	160.41
dioctyl adipate	256.38
dimethyl sulfate	358.13
ethyl butyrate	472.21
methyl lactate	284.41
butyl lactate	269.61
diethyl carbonate	277.17
propanediol butyl ether	386.1
triethyl orthoformate	270.6
p-tert-butyltoluene	128.35
methyl 4-tert-butylbenzoate	264.26
morpholine	1064.13
tert-butylamine	393.38
n-dodecanol	111.16
dimethoxymethane	627.7
ethylene carbonate	501.34
cyrene	287.25
2-ethoxyethyl acetate	438.95
2-ethylhexyl acetate	436.77
1,2,4-trichlorobenzene	432.36
4-methylpyridine	624.03
dibutyl ether	306.93
2,6-dimethyl-4-heptanol	199.4
DEF	740.9
dimethyl isosorbide	639.98
tetrachloroethylene	825.46
eugenol	293.22
triacetin	376.63
span 80	388.5
1,4-butanediol	179.76
1,1-dichloroethane	1036.31
2-methyl-1-pentanol	307.59
methyl formate	495.49
2-methyl-1-butanol	427.16
n-decane	38.96
butyronitrile	621.89
3,7-dimethyl-1-octanol	228.76
1-chlorooctane	163.86
1-chlorotetradecane	70.14
n-nonane	40.56
undecane	30.86
tert-butylcyclohexane	60.7
cyclooctane	44.13
cyclopentanol	718.09
tetrahydropyran	1074.43
tert-amyl methyl ether	323.66
2,5,8-trioxanonane	583.25
1-hexene	306.55
2-isopropoxyethanol	295.91
2,2,2-trifluoroethanol	223.48
methyl butyrate	529.22

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