Results for:
chemical Classification: asters

Ethyl Hex-5-enoate

Compound Details

Synonymous names
Ethyl 5-hexenoate
ethyl hex-5-enoate
54653-25-7
Ethyl-5-hexenoate
5-Hexenoic acid, ethyl ester
FEMA No. 3976
Hex-5-enoic acid, ethyl ester
HK3B97IJ51
MFCD00671844
Ethyl 5-hexenoate [FIFH]
5-Hexenoic acid ethyl ester
UNII-HK3B97IJ51
Ethyl5-hexenoate
SCHEMBL167032
5-(ethoxycarbonyl)-1-pentene
CHEBI:87299
DTXSID60203111
ETHYL 5-HEXENOATE [FHFI]
AKOS016016647
DB-370512
NS00022354
Q27159504
Microorganism:

Yes

IUPAC nameethyl hex-5-enoate
SMILESCCOC(=O)CCCC=C
InchiInChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h3H,1,4-7H2,2H3
FormulaC8H14O2
PubChem ID6420258
Molweight142.2
LogP1.9
Atoms10
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationasters
CHEBI-ID87299
Supernatural-IDSN0327069

mVOC Specific Details

Boiling Point
DegreeReference
181 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


1-acetyloxyethyl Acetate

Compound Details

Synonymous names
ETHYLIDENE DIACETATE
542-10-9
1,1-Ethanediol Diacetate
ethane-1,1-diyl diacetate
1,1-Diacetoxyethane
Ethylidene acetate
1,1-Ethanediol, diacetate
1-acetyloxyethyl acetate
Delrin
KL1S8V6W25
DTXSID1027188
NSC-8852
66455-31-0
Ethylidene di(acetate)
1-(Acetyloxy)ethyl acetate
UNII-KL1S8V6W25
NSC 8852
EINECS 208-800-3
MFCD00014980
1,1-diacetoxy-ethane
1,1'-Diacetoxy-ethane
AI3-24218
SCHEMBL987906
1-(Acetyloxy)ethyl acetate #
DTXCID507188
CHEMBL3187663
ETHYLIDENE DIACETATE [MI]
NSC8852
1,1-Ethanediol, 1,1-diacetate
Tox21_200113
AKOS015900230
NCGC00248529-01
NCGC00257667-01
AS-57369
CAS-542-10-9
CS-0206532
NS00032998
D90424
Q15720555
InChI=1/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H
Microorganism:

Yes

IUPAC name1-acetyloxyethyl acetate
SMILESCC(OC(=O)C)OC(=O)C
InchiInChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
FormulaC6H10O4
PubChem ID222536
Molweight146.14
LogP0.5
Atoms10
Bonds4
H-bond Acceptor4
H-bond Donor0
Chemical Classificationasters
Supernatural-IDSN0001833

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


2-methylpropyl 2-hydroxypropanoate

Compound Details

Synonymous names
Isobutyl lactate
2-methylpropyl 2-hydroxypropanoate
585-24-0
Isobutyl 2-hydroxypropanoate
Propanoic acid, 2-hydroxy-, 2-methylpropyl ester
Isobutyl D-lactate
iso-butyl lactate
2-methylpropyl2-hydroxypropanoate
2-Methylpropyl 2-hydroxypropionate
isobutyl-D-lactate
EINECS 209-551-3
AI3-17815
R-(+)-isobutyl lactate
isobutyl 2-hydroxy propanoate
73523-02-1
SCHEMBL767015
Isobutyl 2-hydroxypropanoate #
DTXSID20862243
AKOS006229869
DB-018086
NS00079904
EN300-197648
G23925
A833320
Z1198162798
Microorganism:

Yes

IUPAC name2-methylpropyl 2-hydroxypropanoate
SMILESCC(C)COC(=O)C(C)O
InchiInChI=1S/C7H14O3/c1-5(2)4-10-7(9)6(3)8/h5-6,8H,4H2,1-3H3
FormulaC7H14O3
PubChem ID92814
Molweight146.18
LogP1.2
Atoms10
Bonds4
H-bond Acceptor3
H-bond Donor1
Chemical Classificationasters

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


Diethyl Oxalate

Compound Details

Synonymous names
DIETHYL OXALATE
95-92-1
Ethyl oxalate
diethyloxalate
Ethanedioic acid, diethyl ester
Diethyl ethanedioate
Oxalic acid, diethyl ester
Oxalic ether
Oxalic Acid Diethyl Ester
NSC 8851
Diethylester kyseliny stavelove
MFCD00009119
Diethyl ester of oxalic acid
860M3ZWF6J
DTXSID2044472
NSC-8851
Ethanedioic acid, 1,2-diethyl ester
Ethyl oxalate (VAN)
HSDB 2131
EINECS 202-464-1
UN2525
Diethylester kyseliny stavelove [Czech]
BRN 0606350
UNII-860M3ZWF6J
diethyl ethaneioate
diethyl ethane-dioate
ETHYL OXOLATE
oxalic acid diethylester
1,2-diethyl ethanedioate
C2H5OCOCOOC2H5
Diethyl oxalate, >=99%
EC 202-464-1
SCHEMBL7262
WLN: 2OVVO2
DIETHYL OXALATE [MI]
4-02-00-01848 (Beilstein Handbook Reference)
DIETHYL OXALATE [HSDB]
CHEMBL3183226
DTXCID0024472
NSC8851
AMY37179
Diethyl oxalate, analytical standard
Tox21_302109
BBL011413
STL146519
ETHANEDIOC ACID, DIETHYL ESTER
AKOS000120214
Ethyl oxalate [UN2525] [Poison]
UN 2525
CAS-95-92-1
NCGC00255767-01
AS-14315
BP-13324
Diethyl oxalate, purum, >=99.0% (GC)
NS00009607
O0078
O0120
EN300-19207
F87445
Q904612
J-802189
Q-200981
5-pentyl-5-tetrahydropyran-2-yl-imidazolidine-2,4-dione
ETHANEDIOIC ACID,DIETHYL ESTER (DIETHYLOXALATE)
F1908-0115
Z104473164
InChI=1/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H
Ethanedioic Acid 1,2-Diethyl Ester; Oxalic Acid Diethyl Ester; Diethyl Ethanedioate; Ethyl Oxalate; NSC 8851
Microorganism:

Yes

IUPAC namediethyl oxalate
SMILESCCOC(=O)C(=O)OCC
InchiInChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
FormulaC6H10O4
PubChem ID7268
Molweight146.14
LogP0.6
Atoms10
Bonds5
H-bond Acceptor4
H-bond Donor0
Chemical Classificationasters
Supernatural-IDSN0423070

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


Diethyl Propanedioate

Compound Details

Synonymous names
DIETHYL MALONATE
105-53-3
Diethyl propanedioate
Ethyl malonate
Propanedioic acid, diethyl ester
Malonic ester
Carbethoxyacetic ester
Dicarbethoxymethane
Malonic acid, diethyl ester
1,3-diethyl propanedioate
Ethyl propanedioate
Malonic acid diethyl ester
Ethyl methanedicarboxylate
Methanedicarboxylic acid, diethyl ester
Ethyl malonate (VAN)
FEMA No. 2375
NSC 8864
EINECS 203-305-9
propanedioic acid diethyl ester
CCRIS 9480
UNII-53A58PA183
AI3-00656
NSC-8864
MFCD00009195
Propanedioic acid, 1,3-diethyl ester
53A58PA183
DTXSID7021863
HSDB 8438
EC 203-305-9
NSC-136903
DTXCID701863
CAS-105-53-3
Malonic acid diethyl
dietyl malonate
malonic acid-diethylester
CH2(COOEt)2
Diethyl propanedioate, 9CI
SCHEMBL8636
ETHYL MALONATE [MI]
WLN: 2OV1VO2
DIETHYL MALONATE [FCC]
CHEMBL177114
DIETHYL MALONATE [FHFI]
FEMA 2375
Diethyl malonate, >=98%, FG
NSC8864
CHEBI:167785
AMY37124
STR00319
Tox21_201362
Tox21_302931
BBL027742
BDBM50502172
Diethyl malonate, analytical standard
s6208
STL281878
AKOS000118957
CS-W020637
Diethyl malonate, ReagentPlus(R), 99%
NCGC00249033-01
NCGC00256502-01
NCGC00258914-01
DB-051013
Diethyl malonate, purum, >=97.0% (GC)
M0029
NS00001108
Diethyl malonate, puriss., >=99.0% (GC)
EN300-19208
D78522
Diethyl malonate, Vetec(TM) reagent grade, 98%
A801257
Q-200975
Q27887610
F1908-0063
Z104473166
PROPANEDIOIC ACID,DIETHYL ESTER (MALONIC ACID,DIETHYL ESTER)
InChI=1/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H
Microorganism:

Yes

IUPAC namediethyl propanedioate
SMILESCCOC(=O)CC(=O)OCC
InchiInChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
FormulaC7H12O4
PubChem ID7761
Molweight160.17
LogP1
Atoms11
Bonds6
H-bond Acceptor4
H-bond Donor0
Chemical Classificationasters
CHEBI-ID167785
Supernatural-IDSN0159042

mVOC Specific Details

Boiling Point
DegreeReference
200 °C peer reviewed
Volatilization
The Henry's Law constant for diethyl malonate is estimated as 2.0X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.19 mm Hg(1), and water solubility, 2.0X10+4 mg/L(2). This Henry's Law constant indicates that diethyl malonate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 23 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 173 days(SRC). Diethyl malonate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In chemical stimulant studies simulating chemical warfare agents, diethyl malonate deposited to dry soil and foliar surfaces is rapidly lost through volatilization processes with observed half-lives on soil of about 2 hours (fast) to 5-16 hours (residual material)(4); foliar half-lives ranged from 1 to 242 hours(4).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of diethyl malonate can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that diethyl malonate is expected to have very high mobility in soil(SRC).
Vapor Pressure
PressureReference
0.26
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
ProkaryotaLactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno


Ethyl (E)-non-3-enoate

Compound Details

Synonymous names
3-Nonenoic acid, ethyl ester
ethyl (E)-non-3-enoate
ethyl (3E)-non-3-enoate
Ethyl (3E)-3-nonenoate #
SCHEMBL1468178
CHEBI:87312
STL578060
AKOS030505965
Microorganism:

Yes

IUPAC nameethyl (E)-non-3-enoate
SMILESCCCCCC=CCC(=O)OCC
InchiInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h8-9H,3-7,10H2,1-2H3/b9-8+
FormulaC11H20O2
PubChem ID1636702
Molweight184.27
LogP3.5
Atoms13
Bonds8
H-bond Acceptor2
H-bond Donor0
Chemical Classificationasters

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


Ethyl 3-hydroxyhexanoate

Compound Details

Synonymous names
Ethyl 3-hydroxyhexanoate
2305-25-1
Hexanoic acid, 3-hydroxy-, ethyl ester
FEMA No. 3545
3-HYDROXYHEXANOIC ACID ETHYL ESTER
Ethyl 3-hydroxycaproate
ethyl 3-hydroxy-hexanoate
Ethyl hydroxy-3-hexanoate
2M3L6B34FF
3-hydroxy-hexanoic acid ethyl ester
MFCD00036604
WE(2:0/6:0(3OH))
Ethyl beta-hydroxycaproate
UNII-2M3L6B34FF
EINECS 218-973-7
ethyl 3-hydroxy hexanoate
SCHEMBL873010
ETHYL-3-HYDROXYHEXANOATE
racemic ethyl 3-hydroxyhexanoate
CHEBI:23997
FEMA 3545
DTXSID10862898
Ethyl (+/-)-3-hydroxyhexanoate
GLXC-25681
BCP24429
CAA30525
LMFA07010516
AKOS009159203
CS-W013272
ETHYL 3-HYDROXYHEXANOATE [FHFI]
Ethyl 3-hydroxyhexanoate, >=98%, FG
(+/-)-ETHYL 3-HYDROXYHEXANOATE
SY048396
DB-114492
ETHYL 3-HYDROXYHEXANOATE, (+/-)-
E0788
NS00012411
D70264
EN300-111675
CAPROIC ACID, .BETA.-HYDROXY-, ETHYL ESTER
Q27109826
Microorganism:

Yes

IUPAC nameethyl 3-hydroxyhexanoate
SMILESCCCC(CC(=O)OCC)O
InchiInChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
FormulaC8H16O3
PubChem ID61293
Molweight160.21
LogP1
Atoms11
Bonds6
H-bond Acceptor3
H-bond Donor1
Chemical Classificationasters
CHEBI-ID23997
Supernatural-IDSN0218992

mVOC Specific Details

Boiling Point
DegreeReference
101 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


2-methylpropyl Decanoate

Compound Details

Synonymous names
Isobutyl decanoate
30673-38-2
2-methylpropyl decanoate
n-Capric acid isobutyl ester
Decanoic acid, 2-methylpropyl ester
isobutyl caprate
Decanoic acid, isobutyl ester
ISOBUTYLDECANOATE
ZYU8S7C4T7
UNII-ZYU8S7C4T7
EINECS 250-281-0
AI3-33574
Decanoic Acid Isobutyl Ester
SCHEMBL333509
Isobutyl decanoate, AldrichCPR
DTXSID9067566
CHEBI:87570
decanoic acid 2-methyl-propyl ester
MFCD00059259
AKOS030573875
HY-W099618
BS-49082
DB-003690
CS-0152260
D0021
NS00022029
D89580
Q27159738
Microorganism:

Yes

IUPAC name2-methylpropyl decanoate
SMILESCCCCCCCCCC(=O)OCC(C)C
InchiInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
FormulaC14H28O2
PubChem ID121738
Molweight228.37
LogP5.5
Atoms16
Bonds11
H-bond Acceptor2
H-bond Donor0
Chemical Classificationasters
CHEBI-ID87570
Supernatural-IDSN0018193

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


Diethyl Hexanedioate

Compound Details

Synonymous names
DIETHYL ADIPATE
141-28-6
Diethyl hexanedioate
Ethyl adipate
Hexanedioic acid, diethyl ester
1,6-Diethyl hexanedioate
Adipic acid, diethyl ester
ADIPIC ACID DIETHYL ESTER
Hexanedioic acid, diethyl-
Diethylhexanedioic acid
Hexanedioic acid, 1,6-diethyl ester
Diethylester kyseliny adipove
NSC 19160
hexanedioic acid diethyl ester
Ethyl .delta.-carboethoxyvalerate
7B19K45L6C
NSC-19160
68201-71-8
WLN: 2OV4VO2
68989-28-6
Ethyl delta-carboethoxyvalerate
HSDB 5413
EINECS 205-477-0
Diethylester kyseliny adipove [Czech]
BRN 1780035
diethyladipate
UNII-7B19K45L6C
AI3-00342
DUB DEA
SCHEMBL50610
BIDD:ER0365
DIETHYL ADIPATE [HSDB]
Diethyl adipate, >=99%, FG
DTXSID2021999
CHEBI:34697
NSC3363
AMY11024
NSC-3363
NSC19160
Diethyl adipate, analytical standard
MFCD00009215
AKOS009031409
DS-5105
Diethyl adipate, ReagentPlus(R), 99%
A0162
NS00042075
EN300-19693
Diethyl adipate, Vetec(TM) reagent grade, 98%
A807746
J-007477
Q27116229
F1905-6995
Z104474764
Microorganism:

Yes

IUPAC namediethyl hexanedioate
SMILESCCOC(=O)CCCCC(=O)OCC
InchiInChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
FormulaC10H18O4
PubChem ID8844
Molweight202.25
LogP1.3
Atoms14
Bonds9
H-bond Acceptor4
H-bond Donor0
Chemical Classificationasters
CHEBI-ID34697
Supernatural-IDSN0391608

mVOC Specific Details

Boiling Point
DegreeReference
245 °C peer reviewed
Volatilization
The Henry's Law constant for diethyl adipate is estimated as 3.6X10-6 atm-cu m/mole(SRC) from its vapor pressure, 0.058 mm Hg(1), and water solubility, 4,230 mg/l(2). This Henry's Law constant indicates that diethyl adipate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 10 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 110 days(SRC). Diethyl adipate's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). Volatilization from dry soil surfaces is not expected to be an important environmental fate process for diethyl adipate(SRC) based on its vapor pressure(1).
Soil Adsorption
The Koc of diethyl adipate is estimated as 45(SRC), using a water solubility of 4,230 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl adipate is expected to have very high mobility in soil(SRC).
Vapor Pressure
PressureReference
0.05
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


(3E,4R)-3-hexadec-15-ynylidene-4-hydroxy-5-methylideneoxolan-2-one

Compound Details

Synonymous names
CVTHONQVHBUDHA-XJZVHDHVSA-N
(3R,2E)-2-(Hexadec-15-ynylidene)-3-hydroxy-4-methylenebutanolide
(3E)-3-(15-Hexadecynylidene)-4-hydroxy-5-methylenedihydro-2(3H)-furanone #
Microorganism:

Yes

IUPAC name(3E,4R)-3-hexadec-15-ynylidene-4-hydroxy-5-methylideneoxolan-2-one
SMILESC=C1C(C(=CCCCCCCCCCCCCCC#C)C(=O)O1)O
InchiInChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h1,17,20,22H,2,4-16H2/b19-17+/t20-/m0/s1
FormulaC21H32O3
PubChem ID91691263
Molweight332.5
LogP6.8
Atoms24
Bonds13
H-bond Acceptor3
H-bond Donor1
Chemical Classificationasters
Supernatural-IDSN0056895-03

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


Ethyl 9-oxononanoate

Compound Details

Synonymous names
ETHYL 9-OXONONANOATE
3433-16-7
9-Oxononanoic acid ethyl ester
Nonanoic acid, 9-oxo-, ethyl ester
ethyl-9-oxononanoate
Ethyl 9-oxononanoate #
SCHEMBL1686744
DTXSID10187896
DB-142519
Microorganism:

Yes

IUPAC nameethyl 9-oxononanoate
SMILESCCOC(=O)CCCCCCCC=O
InchiInChI=1S/C11H20O3/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h10H,2-9H2,1H3
FormulaC11H20O3
PubChem ID18915
Molweight200.27
LogP2.2
Atoms14
Bonds10
H-bond Acceptor3
H-bond Donor0
Chemical Classificationasters
Supernatural-IDSN0336256

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


Ethyl (Z)-dec-4-enoate

Compound Details

Synonymous names
Ethyl (Z)-4-decenoate
7367-84-2
ethyl (Z)-dec-4-enoate
4-Decenoic acid, ethyl ester, (Z)-
Ethyl cis-4-decenoate
Ethyl (4Z)-4-decenoate
ETHYL (CIS)-4-DECENOATE
EINECS 230-915-2
DTXSID801314844
AKOS006229459
NS00043793
Microorganism:

Yes

IUPAC nameethyl (Z)-dec-4-enoate
SMILESCCCCCC=CCCC(=O)OCC
InchiInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8-
FormulaC12H22O2
PubChem ID5463488
Molweight198.3
LogP3.8
Atoms14
Bonds9
H-bond Acceptor2
H-bond Donor0
Chemical Classificationasters
Supernatural-IDSN0017269-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


2-methylpropyl Tetradecanoate

Compound Details

Synonymous names
Isobutyl myristate
25263-97-2
Myristic acid isobutyl ester
2-Methylpropyl tetradecanoate
isobutyl tetradecanoate
Myristicacid isobutylester
Myristic acid, isobutyl ester
Tetradecanoic acid, 2-methylpropyl ester
BT6J85032B
MFCD00059286
NSC-44525
MYRISTICACIDISOBUTYLESTER
UNII-BT6J85032B
EINECS 246-765-6
Isobutyl myristate #
AI3-32096
AEC ISOBUTYL MYRISTATE
SCHEMBL231821
Isobutyl myristate, AldrichCPR
CHEMBL207983
DTXSID10179913
NSC44525
NSC 44525
HY-W099585
BS-49156
SY052357
CS-0152227
M0555
NS00013767
D91357
Q27274867
Microorganism:

Yes

IUPAC name2-methylpropyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(C)C
InchiInChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17(2)3/h17H,4-16H2,1-3H3
FormulaC18H36O2
PubChem ID91361
Molweight284.5
LogP7.7
Atoms20
Bonds15
H-bond Acceptor2
H-bond Donor0
Chemical Classificationasters

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno