Results for:
PubChem ID: 62098

4-(1,3-benzodioxol-5-yl)butan-2-one

Compound Details

Synonymous names	PIPERONYL ACETONE 55418-52-5 Piperonylacetone 4-(3,4-Methylenedioxyphenyl)-2-butanone 4-(1,3-Benzodioxol-5-yl)butan-2-one 4-(1,3-Benzodioxol-5-yl)-2-butanone 2-Butanone, 4-(1,3-benzodioxol-5-yl)- FEMA No. 2701 3,4-Methylenedioxybenzylacetone 4-(Benzo[d][1,3]dioxol-5-yl)butan-2-one DTXSID0047161 081VVC9H34 NSC-405365 4-(3,4-Methylenedioxy)phenyl-2-butanone 2-Butanone, 4-[1,3-benzodioxol-5-yl]- EINECS 259-630-1 NSC 405365 UNII-081VVC9H34 AI3-20251 Heliotropylacetone SCHEMBL7406 CHEMBL3184992 DTXCID8027161 FEMA 2701 CHEBI:173930 2-Butanone,3-benzodioxol-5-yl)- ALBB-023550 Tox21_302658 MFCD00016910 NSC405365 s6139 STK735570 AKOS001021134 HY-W027872 4-(1,3-dioxaindan-5-yl)butan-2-one s11734 NCGC00256806-01 AS-15349 4-(1,3-Benzodioxol-5-yl)-2-butanone # CAS-55418-52-5 DB-052726 4-(2H-1,3-benzodioxol-5-yl)butan-2-one CS-0071896 NS00013158 4-[3,4-(methylenedioxy) phenyl]butan-2-one EN300-01368 4-(1,1-Dimethylethyl)cyclohexanol (cis+trans) 4-(3,4-Methylenedioxyphenyl)-2-butanone, 9CI 2-BUTANONE, 4-(1,3-BENZODIOXOL-5-YL) A830635 SR-01000523985 4-(3,4-Methylenedioxyphenyl)-2-butanone, >=99% Q-200400 SR-01000523985-1 Q27236344 Z56795046 4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE [FHFI]
Microorganism:	Yes
IUPAC name	4-(1,3-benzodioxol-5-yl)butan-2-one
SMILES	CC(=O)CCC1=CC2=C(C=C1)OCO2
Inchi	InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
Formula	C11H12O3
PubChem ID	62098
Molweight	192.21
LogP	1.8
Atoms	14
Bonds	3
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	ketones heterocyclic compounds dioxoles benzenoids aromatic compounds
CHEBI-ID	173930
Supernatural-ID	SN0364234

mVOC Specific Details

Boiling Point

Degree Reference 176 median

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Meyerozyma Guilliermondii Xiong et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Meyerozyma Guilliermondii YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose GC-MS and GC-IMS no