CAS 1604-34-8 6,10-Dimethylundecan-2-one (HCID 95495)

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Basic information

CAS: 1604-34-8
Standard SMILES: CC(=O)CCCC(C)CCCC(C)C
InChIKey: RBGLEUBCAJNCTR-UHFFFAOYSA-N
Molecular formula: C13H26O
Average molar mass: 198.34 g/mol
Monoisotopic mass: 198.19836545

Overview

hexahydropseudoionone has been reported in Ceratophyllum demersum with data available.

Names & identifiers

Preferred name: 6,10-Dimethylundecan-2-one
IUPAC: 6,10-dimethylundecan-2-one
English name: 6,10-dimethylundecan-2-one
Molecular formula: C13H26O
Molecular weight: 198.34

Names & synonyms

6,10-Dimethylundecan-2-oneHexahydropseudoionone6,10-Dimethyl-2-undecanone2-Undecanone, 6,10-dimethyl-6,10-dimethylundecane-2-oneUNII-91TGG00357EINECS 216-509-8EINECS 262-082-6NSC 15338NSC-1533891TGG00357AI3-15989

Show more names

Tetrahydrogeranylacetone6,10-Dimethylundecan-2-ontetrahydrageranyl acetone[S,(-)]-6,10-Dimethyl-2-undecanone

DTXSID80862709(1)-6,10-Dimethylundecan-2-one2,6-DIMETHYLUNDECANE-10-ONEPseudoionone, hexahydro6,10Dimethyl2undecanone6,10Dimethylundecan2oneRefChem:103696DTXCID80811439

Database identifiers

CAS: 1604-34-8、60148-93-8
PubChem CID: 95495
DTXSID: DTXSID80862709
UNII: 91TGG00357
EC Number: 216-509-8、262-082-6
Nikkaji: J102.017J

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 14
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aliphatic Ketones, Other

Flavoring AgentsEU Flavoring substances

Physical DescriptionViscous liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point: 119 · 119-120 °C(Press: 10 Torr)
Density: 0.8421 g/cm3 · 0.8421 g/cm3
FLAVIS Number: 7.157 · 07.157 | 6,10-Dimethylundecan-2-one
form: oily liquid
color: Colorless
Odor: dry musty
Odor Type: musty
LogP: 5.7 at · 5.7 at 23℃
FDA UNII: 91 TGG00357 · 91TGG00357
EPA Substance Registry System: 2 · 2-Undecanone, 6,10-dimethyl- (1604-34-8)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: 2-Undecanone, 6,10-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

REACH registered substance: 6,10-dimethylundecan-2-one (EC: 216-509-8)

2-Undecanone, 6,10-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 2-Undecanone.

Hazard Classes and CategoriesEye Irrit. 2 (97.7%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P