麝香酮

Description

3-Methyl-1-cyclopentadecanone is identified by CAS 541-91-3, molecular formula C16H30O and molecular weight 238.23 g/mol. UNII 5JO79R7S9R; InChIKey ALHUZKCOMYUFRB-UHFFFAOYSA-N. Boiling Point: 329 °C; 130 °C @ 0.5 mm Hg; Boiling Point: 320.00 to 329.00 °C. @ 760.00 mm Hg; Melting Point: 8.60 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	541-91-3
PubChem CID	10947
Molecular formula	C16H30O
Molecular weight	238.23 g/mol
IUPAC name	3-methylcyclopentadecan-1-one
InChIKey	ALHUZKCOMYUFRB-UHFFFAOYSA-N
UNII (FDA)	5JO79R7S9R
FEMA number	3434
JECFA number	1402

Computed Descriptors

Molecular Weight	238.41
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	238.229665576
Monoisotopic Mass	238.229665576
Topological Polar Surface Area	17.1
Heavy Atom Count	17
Formal Charge	0

Physical & Chemical Properties

Boiling Point	329 °C; 130 °C @ 0.5 mm Hg
Boiling Point	320.00 to 329.00 °C. @ 760.00 mm Hg
Melting Point	8.60 °C. @ 760.00 mm Hg
Density	0.9921 g/cu cm @ 17 °C

Physical description & handling notes

• Liquid
• Clear viscous oil with pleasant musky fragrance; [MSDSonline]
• Colourless or opaque crystalline mass; Soft, sweet, tenacious musk aroma
• YELLOW
• Powerful soft, sweet animal musk
• Colorless liquids with boiling points that increase regularly with increasing molecular weight. Virtually all members of the series exhibit characteristic odor depending on the ring size. /Cycloaliphatic ketones/

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 928-JECFA 63/86
GHS notification summary	99.7% (1559 / 1564)

GHS Hazard Classification

GHS notification summary	99.7% (1559 / 1564)

Documented Uses

• Fragrant component of musk; [Merck Index] Used in perfumes and as a flavor ingredient; [HSDB]
• Used in perfumes over a wide range of concns /Aroma chemicals/
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• INFUSIONS & TINCTURES...PREPD BY ALCOHOLIC EXTRACTION OF MUSK GRAINS. BY CONCENTRATING ALCOHOLIC EXTRACTS...POSSIBLE TO PREPARE A "MUSK RESINOID." TRUE RESINOID IS PREPD BY PETROLEUM ETHER EXTRACTION OF MUSK GRAINS. MUSK ABSOLUTE IS PREPARED BY ALCOHOLIC EXTRACTION FROM RESINOID. /MUSK/
• Synthesis of the +/- form: Ziegler, Weber, Ann 512, 164 (1934); Ruzicka, Stoll, Helv Chim Acta 17, 1308 (1934); Hunsdiecker, Ber 75B, 1197 (1942). Recent syntheses: Stork, McDonald, J Am Chem Soc 97, 1264 (1975): H.G. Fliri et al, Monatch Chem 110, 245 (1979); C. Fehr et al., Helv Chim Acta 62, 2655 (1979); K. H. Schulte-Elte et al., ibid 2673; G. Cantoni et al., J Org Chem 45, 1906 (1980).

Synonyms

3-Methylcyclopentadecanone; 541-91-3; 3-Methylcyclopentadecan-1-one; MUSKONE; Cyclopentadecanone, 3-methyl-; Methylexaltone; Moschus ketone; dl-muscone; 3-Methyl-1-cyclopentadecanone; 5-Methyl-1-cyclopentadecanone; FEMA No. 3434; dextro,laevo-muscone; HSDB 1219; EINECS 208-795-8; 5JO79R7S9R; AI3-38746

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Methyl-1-cyclopentadecanone?

CAS 541-91-3; molecular formula C16H30O; molecular weight 238.23 g/mol.

What other names is 3-Methyl-1-cyclopentadecanone known by?

3-Methylcyclopentadecanone, 541-91-3, 3-Methylcyclopentadecan-1-one, MUSKONE, Cyclopentadecanone, 3-methyl-, Methylexaltone.

What is the regulatory status of 3-Methyl-1-cyclopentadecanone?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is 3-Methyl-1-cyclopentadecanone classified as hazardous?

99.7% of GHS notifications report no hazard classification (1559 of 1564).

What are the key physical properties of 3-Methyl-1-cyclopentadecanone?

Boiling Point: 329 °C; 130 °C @ 0.5 mm Hg; Boiling Point: 320.00 to 329.00 °C. @ 760.00 mm Hg; Melting Point: 8.60 °C. @ 760.00 mm Hg; Density: 0.9921 g/cu cm @ 17 °C.

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.