Results for:
PubChem ID: 5283316

(E)-hept-2-enal

Mass-Spectra

Compound Details

Synonymous names

Butylacrolein

beta-Butylacrolein

NDFKTBCGKNOHPJ-AATRIKPKSA-N

Heptenal

3-Butylacrolein

AC1Q2UPE

2-HEPTENAL

4NJZ8GMQ6F

2-trans-Heptenal

AC1NR20B

Tran-2-heptonal

trans-2-Heptenal

.beta.-Butylacrolein

UNII-4NJZ8GMQ6F

hept-2-enal

trans-2-Heptenal, analytical standard

OR6048

Hept-trans-2-enal

CHEMBL454759

SCHEMBL120185

(2e)-heptenal

CCRIS 3505

CCRIS 4566

n-Hept-trans-2-enal

AK114251

LP082004

OR026224

Jsp003863

DTXSID4062436

A813217

ZINC2017189

CHEBI:61724

LS-74540

LS-74539

KB-61885

CJ-31357

AN-18821

AJ-32636

AB1005979

(E)-2-Heptenal

MFCD00007010

LMFA06000019

trans-2-Hepten-1-al

Hept-2(E)-enal

ZINC02017189

DB-044672

KB-209294

trans-2-Heptenal, 97%

ST24026355

AI3-36270

RT-003630

W-107756

(2E)-2-Heptenal

Heptenal, (E)-

AKOS015915525

I14-6229

FT-0695030

FT-0637756

FEMA No. 3165

BRN 1745160

BRN 1700822

Hept-(E)-2-enal

(E)-Hept-2-enal

trans-2-Heptenal, >=95%, FG

2-Heptenal, (E)-

2463-63-0

EINECS 242-608-0

EINECS 219-563-0

(E)-2-Hepten-1-al

18829-55-5

2-Heptenal, (2E)-

29381-66-6

57266-86-1

MolPort-001-769-758

3-01-00-03002 (Beilstein Handbook Reference)

4-01-00-03478 (Beilstein Handbook Reference)

Microorganism:

Yes

IUPAC name

(E)-hept-2-enal

SMILES

CCCCC=CC=O

Inchi

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+

Formula

C₇H₁₂O

PubChem ID

click for 3d-structure

Molweight

112.172

LogP

2.09

Atoms

20

Bonds

19

H-bond Acceptor

1

H-bond Donor

0

Chemical Classification

Aldehydes alkenes

mVOC Specific Details

MS-Links

MS-MS Spectrum 72610

MS-MS Spectrum 131581

MS-MS Spectrum 131582

MS-MS Spectrum 72609

MS-MS Spectrum 72611

MS-MS Spectrum 131580

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Aspergillus Flavus NRRL 18543	n/a		Beck et al., 2012
Fungi	Aspergillus Flavus NRRL 25347	n/a		Beck et al., 2012
Fungi	Aspergillus Niger NRRL 326	n/a		Beck et al., 2012
Fungi	Aspergillus Parasiticus NRRL 5862	n/a		Beck et al., 2012
Fungi	Penicillium Glabrum NRRL 766	n/a		Beck et al., 2012
Fungi	Rhizopus Stolonifer NRRL 54667	n/a		Beck et al., 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Aspergillus Flavus NRRL 18543	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Flavus NRRL 25347	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Niger NRRL 326	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Parasiticus NRRL 5862	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Penicillium Glabrum NRRL 766	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Rhizopus Stolonifer NRRL 54667	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS