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Basic information
- CAS
33704-61-9- Standard SMILES
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C- InChIKey
MIZGSAALSYARKU-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- (+-)-Cashmeran
- IUPAC
- 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
- English name
- CASHMERAN
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
Cashmeran33704-61-91,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-oneMusk indanone4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-DTXSID8047399(+-)-Cashmerandihydro pentamethylindanoneEINECS 251-649-3CCRIS 8406dihydropentamethylindanoneDTXCID6027399
Show more names
DPMICashmere6,7-DIHYDRO-1,1,2,3,3-PENTAMETHYL-4(5H)-INDANONE1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-4h-inden-4-on1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one
EC 251-649-3Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone4(5H)-INDANONE, 6,7-DIHYDRO-1,1,2,3,3-PENTAMETHYL-RefChem:390703DIHYDRO PENTAMETHYLINDANONE [INCI]Casmierone1,1,2,3,3-Pentamethyl-2,3,6,7-tetrahydro-1H-inden-4(5H)-one1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
Database identifiers
- CAS
33704-61-9- PubChem CID
- 92292
- DTXSID
DTXSID8047399- ChEMBL
CHEMBL3183584- UNII
- BZR4438MY4
- EC Number
- 251-649-3
- Nikkaji
- J308.527I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
Physical DescriptionLiquid; CBI
Kovats Retention Index1503.2；1512.7
Collision Cross Section
154.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8047399]
148.04 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
Physicochemical properties
- Boiling point
- 286.1 °C · 286.1 °C
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- vapor pressure
- 1 Pa · 1Pa at 25℃
- solubility
- Chloroform (Slightly), Methanol
- form
- Low-Melting Solid
- color
- White to Off-White
- Odor
- 10 % · at 10.00 % in dipropylene glycol. rich spicy musk woody clean
- Odor Type
- musk
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (4 of 1553) of reports.
Warning
H315 (92.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (92.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (92.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (99.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1553 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 1553 reports by companies.；There are 18 notifications provided by 1549 of 1553 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl- 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: 20-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15957
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 7,000,000 - <8,500,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
6,7-Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone (DPMI)
1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one; 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-; 1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one; Cashmeran (commercial name)
IFRA_STD_028.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household ProductsInformation on 30 consumer products that contain Dihydro Pentamethylindanone in the following categories is provided:；• Auto Products；• Inside the Home；• Personal Care
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Plastics Material and Resin Manufacturing；All Other Chemical Product and Preparation Manufacturing
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.0063 [Products applied to the lips]
0.26 [Products applied to the axillae]
0.019 [Products applied to the face/body using fingertips]
3.8 [Products related to fine fragrances]
0.31 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.025 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Related reactions
11 records
Compound notes
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