Basic information
- CAS
116-66-5- Standard SMILES
Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C- InChIKey
UHWURQRPEIFIAK-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.12665706
Overview
causes allergic photocontact dermatitis; structure given in first source
Names & identifiers
- Preferred name
- Moskene
- IUPAC
- 1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
- English name
- 1,1,3,3,5-Pentamethyl-4,6-dinitroindane
- Molecular formula
- C14H18N2O4
- Molecular weight
- 278.3
Names & synonyms
Moskene116-66-5Musk moskene1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-DTXSID60445191,1,3,3,5-Pentamethyl-4,6-dinitroindan1Q49IC9FAW1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indeneNSC-60035DTXCID4024519RefChem:159824204-149-4
Show more names
MUSK MOSKENMusk mosceneMusk moskene-d3moskene (Givaudan)musk moskene solutionMusk Solution, 100ppmMusk moskene (technical)Musk moskene in isooctane
1,1,3,3,5-Pentamethyl-4,6-dinitroindaneMusk moskine4,6-Dinitro-1,1,3,3,5-pentamethylindane1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene1,1,3,3,5-Pentamethyl-4,6-dinitrolindanIndan, 1,1,3,3,5-pentamethyl-4,6-dinitro-Indan, 4,6-dinitro-1,1,3,3,5-pentamethyl-MFCD00021242
Database identifiers
- CAS
116-66-5- PubChem CID
- 67005
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
FragrancesFragrance substance (Musk moskene) -> IFRA amendment 43
Physicochemical properties
- Boiling point
- 421.12 °C · 421.12°C (rough estimate)
- Density
- 1.1674 · 1.1674 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 2 °C · 2 °C
- storage temp.
- 2 · 2-8°C
- Odor
- 10 % · at 10.00 % in benzyl benzoate. sweet musk ambrette ketone powdery dry
- Odor Type
- musk
- Henry's Law Constant
- 4.8 · 4.8×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- LogP
- 4.839 · 4.839 (est)
- FDA UNII
- 1 Q49IC9FAW · 1Q49IC9FAW
- EPA Substance Registry System
- Musk moskine (116-66-5)
- Symbol(GHS)
- 2 · GHS02,GHS07
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 92.6% (138 of 149) of all reports.
Not Classified
Aggregated GHS information provided per 149 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
Hazard Traits - Bioaccumulation; Environmental Persistence
1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Nitromusks: Human health tier III assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- ridadr
- UN 1648 3/PG 2
- hs_code
- 05100030
- risk_code
- 11-20/21/22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-36/37
- Hazard statements
- H225-H302-H312-H319-H332
- Precautionary statements
- P210-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
Musk moskene
1,1,3,3,5-Pentamethyl-4,6-dinitroindane; 1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6,-dinitro-
IFRA_STD_167.pdf
43
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
General Manufacturing Information1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-: ACTIVE
Applications
UsesMusk moskene is used as fragrance and fixative in after-shave lotions, perfumes, etc.
Upstream & downstream products
Downstream products
Suppliers27 total
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
PT CHEM GROUP LIMITED
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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