AG00DZIT

491-09-8 | 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone

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CAS Number	491-09-8
Catalog Number	AG00DZIT(AGN-PC-0JPX69)
Chemical Name	3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone
EC Number	207-729-5
FEMA Number	3560
IUPAC Name	3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
InChI	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3
InChI Key	HKZQJZIFODOLFR-UHFFFAOYSA-N
MDL Number	MFCD02185425
Molecular Formula	C10H14O
Molecular Weight	150.2176
NSC Number	667470
SMILES	CC(C)=C1CCC(C)=CC1=O
UNII	IKR841W74D
Synonyms	piperitenone, Piperitenone, 3-Terpinolenone, 491-09-8, Pulespenone, p-Mentha-1,4(8)-dien-3-one, UNII-IKR841W74D, 3-Methyl-6-(1-methylethylidene)cyclohex-2-en-1-one, NSC667470, 2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-, 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, IKR841W74D, CHEBI:17304, 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone, HKZQJZIFODOLFR-UHFFFAOYSA-N, 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one, FEMA No. 3560, p-Menth-1,4(8)-dien-3-one, EINECS 207-729-5, AC1L8GSJ, 1-Methyl-4-isopropylidene-1-cyclohexen-3-one, CHEMBL54161, SCHEMBL220677, AC1Q6A92, FEMA 3560, HKZQJZIFODOLFR-UHFFFAOYSA-, ZINC18157343, AKOS022504705, LMPR0102090056, NSC-667470, NCI60_023460, 6-Isopropylidene-3-methyl-2-cyclohexenone, 6-isopropylidene-3-methyl-cyclohex-2-en-1-one, C01951, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one #, Z2492396266, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI, InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3, C10H14O, AR-1F5225, C10-H14-O, CID381152, ACN-052923, 2-methyl-6-propan-2-ylidenecyclohex-2-en-1-one, 2-Cyclohexen-1-one,3-methyl-6-(1-methylethylidene)-, 49770-96-9,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.104g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.221g/mol
Monoisotopic Mass	150.104g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P264-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number