Results for:
PubChem ID: 5281168

(E)-hex-2-enal

Mass-Spectra

Compound Details

Synonymous names	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 Hexenal (2E)-hex-2-enal alpha,beta-Hexylenaldehyde FEMA No. 2560 3-Propylacrolein (2e)-hexenal Trans-?2-?Hexenal hexen-2-al MFCD00007008 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 .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 A828173 A835690 Q209405 Z2941218207 InChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
Microorganism:	Yes
IUPAC name	(E)-hex-2-enal
SMILES	CCCC=CC=O
Inchi	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
Formula	C6H10O
PubChem ID	5281168
Molweight	98.14
LogP	1.5
Atoms	7
Bonds	3
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	aldehydes
CHEBI-ID	19591
Supernatural-ID	SN0220886-02

mVOC Specific Details

Boiling Point	Degree Reference 47 median
MS-Links	MS-MS Spectrum 22912 MS-MS Spectrum 21361 MS-MS Spectrum 21360 MS-MS Spectrum 21359 MS-MS Spectrum 22911 MS-MS Spectrum 22910
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008203 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008674 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008764 Massbank Spectrum MSBNK-RIKEN-PR100058

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Fusarium Graminearum n/a NA Busko et al. 2014 Eukaryota Ceratocystis Sp. n/a NA Stotzky and Schenck 1976 Eukaryota Thielaviopsis Basicola n/a NA Stotzky and Schenck 1976 Prokaryota Clostridium Difficile outbreak 2006 UK Rees et al. 2016 Prokaryota Lactobacillus Rhamnosus na Domiati cheese Pogačić et al. 2016 Eukaryota Tuber Borchii na na Splivallo and Ebeler 2015 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Staphylococcus Aureus Wang et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Fusarium Graminearum yeast extract sucrose agar SPME/GC-MS no Eukaryota Ceratocystis Sp. n/a n/a no Eukaryota Thielaviopsis Basicola n/a n/a no Prokaryota Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes Prokaryota Lactobacillus Rhamnosus curd-based broth medium GC/MS yes Eukaryota Tuber Borchii na SPME-GC/MS/O); GC-R yes Prokaryota Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no