Cyclopentadecanone

HCID 10409CAS 502-72-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CCCCCCCCCCCCCC1
InChIKey
OSOIQJGOYGSIMF-UHFFFAOYSA-N
Molecular formula
C15H28O
Average molar mass
224.38 g/mol
Monoisotopic mass
224.21401552

Overview

Cyclopentadecanone has been reported in Angelica gigas with data available.

Names & identifiers

Preferred name
Cyclopentadecanone
IUPAC
cyclopentadecanone
English name
Cyclopentadecanone
Molecular formula
C15H28O
Molecular weight
224.38

Names & synonyms

CYCLOPENTADECANONE502-72-7ExaltoneNormusconeNormusconEINECS 207-951-2DTXSID2047141UNII-T09G246LETNSC 63900BRN 1618444T09G246LETAI3-37209
Show more names
MUSK 15exaltonCYCLOPENTADECONECyclopentadecanonCYCLOPENTANDECANONEExaltone~Normuscone
NSC-63900DTXCID0027141CPE-2184-07-00-00113 (Beilstein Handbook Reference)RefChem:129832CYCLOPENTADECANONE [INCI]207-951-2OSOIQJGOYGSIMF-UHFFFAOYSA-N

Database identifiers

CAS
502-72-7
PubChem CID
10409
DTXSID
DTXSID2047141
ChEMBL
CHEMBL3188770
UNII
T09G246LET
EC Number
207-951-2
Nikkaji
J4.478D

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
16

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Cyclopentadecanone) -> IFRA transparency List
Physical DescriptionLiquid

Physicochemical properties

Melting point
63 · 63-65 °C (lit.)
Boiling point
120 °C/0.3 · 120 °C/0.3 mmHg (lit.)
Density
0.897 g/mL · 0.897 g/mL at 25 °C (lit.)
vapor pressure
0.009 Pa · 0.009Pa at 40℃
refractive index
1.4637 · 1.4637 (estimate)
Flash point
120 °C/0.3mm · 120°C/0.3mm

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 96.2% (1372 of 1426) of all reports.

Not Classified

Aggregated GHS information provided per 1426 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: Cyclopentadecanone

Cyclopentadecanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentadecanone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 08-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24075

Cyclopentadecanone: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Exaltone and related macrocyclic musks
Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
2
tsca
TSCA listed
rtecs
GY0900000
hs_code
29142900
Signal word
Warning

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 84,644 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 2 consumer products that contain Cyclopentadecanone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2 items

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Cyclopentadecanone: ACTIVE

Applications

OccurrenceReported to be found in the scent glands of the Louisiana muskrat Ondatra zibethicus rivalicius (Guenther, 1949).

UsesCyclopentadecanone is the main odoriferous component of musk.

Preparation methods

PreparationBy the cyclization of dinitriles in high dilution (Bedoukian. 1967).

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

30 records
New reaction record

Linked notes

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