Molecular formula
C16H24O2

SMILES
C[C@@H]1CCC=C2[C@]1(C/C(=C(\C)/COC=O)/CC2)C

Fragrance
Woody	82.58%
Amber	46.59%
Dry	45.1%
Sweet	44.21%
Sandalwood	42.64%
Powdery	40.72%
Floral	40.62%
Cedar	37.89%
Balsamic	35.92%
Orris	34.35%

 

Flavor
Woody	45.89%
Fruity	42.97%
Spicy	40.52%
Herbal	39.1%
Sweet	32.11%
Wood	30.51%
Balsam	29.96%
Floral	28.53%
Spice	26.15%
Rose	25.71%

 

Odor impact est.
Medium

XLogP3-AA
3.8

pKa est.
8.51 (weak base)

Molecular weight
248.36 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
337°C

Flash point

• 135.36 ˚C est.

• (E)-Eremophila-1(10),7(11)-dien-12-yl formate

(E)-Eremophila-1(10),7(11)-dien-12-yl formate is a natural-product–type sesquiterpene ester that is typically considered as a fragrance-related material; in industrial settings it may be used as an odorant or aroma component for perfumery and cosmetics/personal care formulations. It may also be evaluated as a flavor/aroma ingredient in select food and beverage contexts, where permitted. Additionally, it can serve as a synthetic intermediate for the preparation of related terpenoid esters in chemical research and development. As a specialty compound, it may find use in niche coating or ink fragrance formulations under appropriate regulatory controls.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	223.89
methanol	144.4
isopropanol	178.63
water	0.06
ethyl acetate	563.75
n-propanol	242.12
acetone	315.83
n-butanol	193.17
acetonitrile	186.46
DMF	359.55
toluene	545.69
isobutanol	119.15
1,4-dioxane	956.0
methyl acetate	353.6
THF	936.68
2-butanone	431.29
n-pentanol	63.57
sec-butanol	104.95
n-hexane	2.96
ethylene glycol	12.31
NMP	134.6
cyclohexane	23.55
DMSO	179.91
n-butyl acetate	243.6
n-octanol	23.14
chloroform	1195.21
n-propyl acetate	204.93
acetic acid	65.68
dichloromethane	993.87
cyclohexanone	489.66
propylene glycol	26.67
isopropyl acetate	321.54
DMAc	274.5
2-ethoxyethanol	180.41
isopentanol	136.16
n-heptane	3.18
ethyl formate	150.3
1,2-dichloroethane	641.48
n-hexanol	95.02
2-methoxyethanol	346.32
isobutyl acetate	126.09
tetrachloromethane	94.49
n-pentyl acetate	106.65
transcutol	1104.63
n-heptanol	35.71
ethylbenzene	122.36
MIBK	200.22
2-propoxyethanol	287.17
tert-butanol	183.72
MTBE	256.48
2-butoxyethanol	127.66
propionic acid	96.19
o-xylene	196.93
formic acid	24.48
diethyl ether	410.06
m-xylene	247.58
p-xylene	143.39
chlorobenzene	369.91
dimethyl carbonate	132.8
n-octane	1.71
formamide	79.77
cyclopentanone	514.99
2-pentanone	348.0
anisole	321.32
cyclopentyl methyl ether	345.54
gamma-butyrolactone	429.17
1-methoxy-2-propanol	267.89
pyridine	714.95
3-pentanone	276.75
furfural	367.84
n-dodecane	1.49
diethylene glycol	141.7
diisopropyl ether	76.52
tert-amyl alcohol	99.29
acetylacetone	373.97
n-hexadecane	1.89
acetophenone	214.64
methyl propionate	341.96
isopentyl acetate	223.19
trichloroethylene	1141.91
n-nonanol	25.81
cyclohexanol	135.17
benzyl alcohol	170.09
2-ethylhexanol	53.05
isooctanol	35.58
dipropyl ether	92.7
1,2-dichlorobenzene	296.94
ethyl lactate	70.83
propylene carbonate	193.01
n-methylformamide	185.22
2-pentanol	91.62
n-pentane	5.68
1-propoxy-2-propanol	195.26
1-methoxy-2-propyl acetate	359.5
2-(2-methoxypropoxy) propanol	146.55
mesitylene	119.95
ε-caprolactone	359.1
p-cymene	57.51
epichlorohydrin	852.27
1,1,1-trichloroethane	487.14
2-aminoethanol	53.05
morpholine-4-carbaldehyde	398.88
sulfolane	268.79
2,2,4-trimethylpentane	4.64
2-methyltetrahydrofuran	458.97
n-hexyl acetate	117.76
isooctane	5.54
2-(2-butoxyethoxy)ethanol	210.51
sec-butyl acetate	163.8
tert-butyl acetate	299.07
decalin	10.42
glycerin	37.93
diglyme	503.95
acrylic acid	67.54
isopropyl myristate	50.61
n-butyric acid	211.87
acetyl acetate	225.67
di(2-ethylhexyl) phthalate	54.8
ethyl propionate	202.61
nitromethane	235.93
1,2-diethoxyethane	337.74
benzonitrile	234.12
trioctyl phosphate	31.32
1-bromopropane	282.86
gamma-valerolactone	663.55
n-decanol	19.11
triethyl phosphate	71.83
4-methyl-2-pentanol	62.93
propionitrile	266.86
vinylene carbonate	210.73
1,1,2-trichlorotrifluoroethane	256.04
DMS	187.65
cumene	66.73
2-octanol	20.51
2-hexanone	141.23
octyl acetate	56.49
limonene	61.68
1,2-dimethoxyethane	419.44
ethyl orthosilicate	71.38
tributyl phosphate	43.9
diacetone alcohol	227.59
N,N-dimethylaniline	147.53
acrylonitrile	306.82
aniline	384.09
1,3-propanediol	128.63
bromobenzene	420.05
dibromomethane	551.74
1,1,2,2-tetrachloroethane	774.86
2-methyl-cyclohexyl acetate	122.05
tetrabutyl urea	51.13
diisobutyl methanol	41.62
2-phenylethanol	187.15
styrene	172.12
dioctyl adipate	82.89
dimethyl sulfate	138.47
ethyl butyrate	170.68
methyl lactate	87.13
butyl lactate	83.34
diethyl carbonate	113.38
propanediol butyl ether	88.55
triethyl orthoformate	115.33
p-tert-butyltoluene	60.03
methyl 4-tert-butylbenzoate	147.65
morpholine	1023.11
tert-butylamine	100.09
n-dodecanol	14.34
dimethoxymethane	477.71
ethylene carbonate	192.93
cyrene	120.56
2-ethoxyethyl acetate	274.12
2-ethylhexyl acetate	157.43
1,2,4-trichlorobenzene	331.1
4-methylpyridine	620.08
dibutyl ether	53.28
2,6-dimethyl-4-heptanol	41.62
DEF	274.2
dimethyl isosorbide	291.47
tetrachloroethylene	414.58
eugenol	138.35
triacetin	172.08
span 80	98.82
1,4-butanediol	28.1
1,1-dichloroethane	590.3
2-methyl-1-pentanol	59.35
methyl formate	106.68
2-methyl-1-butanol	100.28
n-decane	2.76
butyronitrile	228.55
3,7-dimethyl-1-octanol	40.72
1-chlorooctane	20.63
1-chlorotetradecane	8.02
n-nonane	2.2
undecane	1.95
tert-butylcyclohexane	9.03
cyclooctane	6.61
cyclopentanol	114.93
tetrahydropyran	811.8
tert-amyl methyl ether	127.36
2,5,8-trioxanonane	286.36
1-hexene	25.52
2-isopropoxyethanol	127.09
2,2,2-trifluoroethanol	31.86
methyl butyrate	217.69

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