Results for:
PubChem ID: 5283316

(E)-hept-2-enal

Mass-Spectra

Compound Details

Synonymous names	trans-2-Heptenal (E)-Hept-2-enal 18829-55-5 2-HEPTENAL 2-Heptenal, (2E)- 3-Butylacrolein Butylacrolein 2463-63-0 hept-2-enal 2-Heptenal, (E)- (E)-2-Hepten-1-al beta-Butylacrolein (E)-2-Heptenal trans-2-Hepten-1-al (2E)-2-Heptenal 2-trans-Heptenal FEMA No. 3165 (2e)-heptenal Hept-trans-2-enal .beta.-Butylacrolein Hept-2(E)-enal Hept-(E)-2-enal n-Hept-trans-2-enal (2E)-hept-2-enal 4NJZ8GMQ6F MFCD00007010 29381-66-6 Heptenal, (E)- Heptenal 2-hept-enal CCRIS 3505 CCRIS 4566 EINECS 219-563-0 EINECS 242-608-0 UNII-4NJZ8GMQ6F CHEBI:61724 BRN 1700822 BRN 1745160 alpha-Heptenal AI3-36270 trans-2-Heptenal, 97% 2-HEPTENAL [FHFI] 2-HEPTENAL, TRANS- 3-01-00-03002 (Beilstein Handbook Reference) 4-01-00-03478 (Beilstein Handbook Reference) SCHEMBL120185 CHEMBL454759 FEMA 3165 DTXSID30880832 CHEBI:143912 LMFA06000019 trans-2-Heptenal, analytical standard AKOS015915525 HY-W127398 AS-35008 LS-13308 CS-0185633 H0579 NS00076571 trans-2-Heptenal, >=95%, stabilized, FG EN300-119460 EN300-384568 (E)-Hept-2-enal stabilized with alpha-tocopherol A813217 (E)-2-Hepten-1-al 100 microg/mL in Acetonitrile W-107756 Q27131340 Q27260256
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	5283316
Molweight	112.17
LogP	2.1
Atoms	8
Bonds	4
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	aldehydes
CHEBI-ID	61724
Supernatural-ID	SN0242307-01

mVOC Specific Details

Boiling Point	Degree Reference 90 median
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
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008678

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Fumigatus NA NA Bazemore et al. 2012 Eukaryota Spongiporus Leucomallellus na saprophytic mostly on wet, old pines Campos Ziegenbein et al. 2006 Eukaryota Tuber Aestivum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al. 2003 Eukaryota Tuber Melanosporum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al. 2003 Eukaryota Aspergillus Flavus n/a NA Beck et al. 2012 Eukaryota Aspergillus Parasiticus n/a NA Beck et al. 2012 Eukaryota Aspergillus Niger n/a NA Beck et al. 2012 Eukaryota Penicillium Glabrum n/a NA Beck et al. 2012 Eukaryota Rhizopus Stolonifer n/a NA Beck et al. 2012 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Lactobacillus Plantarum Ma et al. 2023 Pediococcus Acidilactici Mockus et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Fumigatus SDA + Elastin TD/GC-MS no Eukaryota Spongiporus Leucomallellus na GC/MS no Eukaryota Tuber Aestivum n/a Headspace solid-phase microextraction (HS-SPME) combined with GC-MS no Eukaryota Tuber Melanosporum n/a Headspace solid-phase microextraction (HS-SPME) combined with GC-MS no Eukaryota Aspergillus Flavus potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Parasiticus potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Niger potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Penicillium Glabrum potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Rhizopus Stolonifer potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Prokaryota Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Prokaryota Lacticaseibacillus Paracasei maize silage HS-SPME coupled with GC-TOF MS no Lactobacillus Plantarum tuna cooking liquid HS-SPME-GC/MS no Pediococcus Acidilactici lentils (Lens culinaris) SPME/ICP-MS no