p-Menthan-3-one - CAS 10458-14-7

Catalog:	BB001415
Product Name:	p-Menthan-3-one
CAS:	10458-14-7
Synonyms:	Cyclohexanone, 5-methyl-2-(1-methylethyl)-; 5-Methyl-2-(1-methylethyl)cyclohexanone; 2-Isopropyl-5-methylcyclohexanone; 5-Methyl-2-isopropylcyclohexanone; NSC 113134; NSC 9280

Technical Data

Related CAS:	39307-52-3 (Deleted CAS)
IUPAC Name:	5-methyl-2-propan-2-ylcyclohexan-1-one
Description:	p-Menthan-3-one, a Menthol derivative, is a volatile flavor compound found in human milk, red and black rice bran, and specialty rice types.
Molecular Weight:	154.25
Molecular Formula:	C10H18O
Canonical SMILES:	CC1CCC(C(=O)C1)C(C)C
InChI:	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
InChI Key:	NFLGAXVYCFJBMK-UHFFFAOYSA-N
Boiling Point:	210°C
Melting Point:	25.02°C
Flash Point:	69°C
Purity:	≥95%
Density:	0.8975 g/cm³
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colourless Oily Matter
Storage:	Store at 2-8°C
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00062998
LogP:	2.64770
Refractive Index:	1.45-1.452
Vapor Pressure:	0.27 [mmHg]

GHS Hazard Statement:	H315 (92.19%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501
Signal Word:	Warning

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WO-2021185736-A1	Consumer product comprising a plurality of microcapsules defined by the mean total surface area	20200318
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PMID	Publication Date	Title	Journal
27633901	20161201	Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays	Toxicology in vitro : an international journal published in association with BIBRA
22789458	20121201	Antioxidant and antibacterial effects of Lavandula and Mentha essential oils in minced beef inoculated with E. coli O157:H7 and S. aureus during storage at abuse refrigeration temperature	Meat science
22953891	20121201	Antioxidant properties and essential oil composition of Calamintha grandiflora L	Food chemistry
22796318	20121001	Isomenthone protects human dermal fibroblasts from TNF-α-induced death possibly by preventing activation of JNK and p38 MAPK	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22727859	20120901	Lack of cytotoxic and genotoxic effects of Minthostachys verticillata essential oil: studies in vitro and in vivo	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.135765193
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.135765193
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7