3-(4'-Methylbenzylidene)camphor
Basic information
- CAS
36861-47-9- Standard SMILES
Cc1ccc(C=C2C(=O)C3(C)CCC2C3(C)C)cc1- InChIKey
HEOCBCNFKCOKBX-UHFFFAOYSA-N- Molecular formula
- C18H22O
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.16706532
Names & identifiers
- Preferred name
- 3-(4'-Methylbenzylidene)camphor
- IUPAC
- 1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
- English name
- 3-(4-Methylbenzylidene)camphor
- Molecular formula
- C18H22O
- Molecular weight
- 254.37
Names & synonyms
36861-47-93-(4'-Methylbenzylidene)camphorRefChem:1066747Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-3-((4-methylphenyl)methylene)-4-Methylbenzylidenecamphor1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-oneMethyl Benzylidene Camphor; 3-(4'-Methyl)benzylidene-bornan-2-one3-(4'-methyl)benzylidene-bornan-2-oneSCHEMBL83091orb1220335UYB80641s3704
Show more names
Enzacamene4-METHYLBENZYLIDENE CAMPHORPARSOL 5000NEO HELIOPAN MBCMEXORYLSDNEO-HELIOPAN4-Methylbenzylidencamphor3-(4-METHYLBENZYLIDINE)CAMPHORMBC 95UV 4MBC
DA-30146NS000094121,7,7-trimethyl-3-(p-tolylmethylene)norbornan-2-one
Database identifiers
- CAS
36861-47-9- PubChem CID
- 37563
- DTXSID
DTXSID8047896- EC Number
- 253-242-6
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Experimental & physicochemical properties
CosmeticsCosmetics ingredient -> Fragrance
FragrancesFragrance Ingredient (3-(4'-Methylbenzylidene)camphor) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 66 · 66-68°C
- Boiling point
- 198 · 198-200 °C
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- RTECS
- 5099565 · DT5099565
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 2 O; · insoluble in H2O; ≥10 mg/mL in DMSO; ≥111.2 mg/mL in EtOH
- form
- Solid
- pka
- 8 · 8.0
- color
- White to off-white
- BRN
- 9213949 · 9213949
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 1.3% (6 of 462) of reports.
Warning
H400 (79.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 462 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl)methylene]-
Hazard Traits - Endocrine Toxicity
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Substance: (±)-1,7,7-trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one
3-(4-Methylbenzylidene) bornan-2-one: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Acute 1 (79.2%)
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2914399000
- risk_code
- 63
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- Xn
- safety_code
- 22-24/25-36/37
Chemistry & industry
Uses & manufacturing
Household ProductsCosmetics product ingredient: (±)-1,7,7-trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one (covering any of the individual isomers and/or combinations thereof (4-MBC); 4-Methylbenzylidene Camphor (4-MBC))
Use ClassificationFragrance Ingredients
General Manufacturing InformationBicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl)methylene]-: ACTIVE
Applications
Uses3-(4-Methylbenzyliden)camphor is an UV-B absorbing agent in sunscreen cosmetics of the type creams, lotions, lipsticks, sun oils, etc.
Uses3-(4-Methylbenzylidene)camphor is an organic camphor derivative that is used in the cosmetic industry for its ability to protect the skin against UV, specifically UV B radiation. 4-Methylbenzylidene camphor(4-MBC) a UV-B ray filter, is an endocrine disruptors (ED).
Uses4-(Methylbenzylidene)camphor (4-MBC), a UV-B ray filter, is an endocrine disruptors (ED).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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