2-十三酮593-08-8

Description

2-Tridecanone is identified by CAS 593-08-8, molecular formula C13H26O and molecular weight 198.20 g/mol. UNII 5Q35VHX26K; ChEBI 77928; InChIKey CYIFVRUOHKNECG-UHFFFAOYSA-N. Boiling Point: 505 °F at 760 mmHg (NTP, 1992); Boiling Point: 134.00 °C. @ 10.00 mm Hg; Boiling Point: 162 °C (15 mmHg).

Identification

CAS Registry Number	593-08-8
PubChem CID	11622
Molecular formula	C13H26O
Molecular weight	198.20 g/mol
IUPAC name	tridecan-2-one
InChIKey	CYIFVRUOHKNECG-UHFFFAOYSA-N
UNII (FDA)	5Q35VHX26K
ChEBI ID	CHEBI:77928
FEMA number	3388
JECFA number	298

Computed Descriptors

Molecular Weight	198.34
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	198.198365449
Monoisotopic Mass	198.198365449
Topological Polar Surface Area	17.1
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	505 °F at 760 mmHg (NTP, 1992)
Boiling Point	134.00 °C. @ 10.00 mm Hg
Boiling Point	162 °C (15 mmHg)
Melting Point	86.1 °F (NTP, 1992)
Melting Point	29 °C
Flash Point	225 °F (NTP, 1992)
Density	0.817-0.823
Refractive Index	1.432-1.438

Physical description & handling notes

• 2-tridecanone is a white crystalline solid. (NTP, 1992)
• White solid; [CAMEO] Light yellow crystalline solid; [Aldrich MSDS]
• Solid
• white to waxy mass or crystalline leaves with a milky, herbaceous, slightly spicy odour
• less than 1 mg/mL at 73 °F (NTP, 1992)
• soluble in alcohol, propylene glycol and oils; insoluble in water

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H400 (96.3%), H410 (97.6%)

Documented Uses

• Used as flavoring agent or adjuvant; [FDA] An ant alarm pheromone; Used as a flavoring essence; [NTP]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

2-TRIDECANONE; Tridecan-2-one; 593-08-8; Methyl undecyl ketone; Tridecanone-2; Hendecyl methyl ketone; FEMA No. 3388; NSC 14763; DTXSID4022070; 5Q35VHX26K; NSC-14763; DTXCID302070; CHEBI:77928; RefChem:89498; 209-784-0; Mathyl undecyl kepoje

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Tridecanone?

CAS 593-08-8; molecular formula C13H26O; molecular weight 198.20 g/mol.

What other names is 2-Tridecanone known by?

2-TRIDECANONE, Tridecan-2-one, 593-08-8, Methyl undecyl ketone, Tridecanone-2, Hendecyl methyl ketone.

What is the regulatory status of 2-Tridecanone?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 2-Tridecanone classified as hazardous?

Hazard statements reported: H400, H410.

What are the key physical properties of 2-Tridecanone?

Boiling Point: 505 °F at 760 mmHg (NTP, 1992); Boiling Point: 134.00 °C. @ 10.00 mm Hg; Boiling Point: 162 °C (15 mmHg); Melting Point: 86.1 °F (NTP, 1992).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.