Isophoryl acrylate
Basic information
- CAS
86178-38-3- Standard SMILES
C=CC(=O)OC1CC(C)CC(C)(C)C1- InChIKey
ZMTBGVBNTHTBEC-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Isophoryl acrylate
- IUPAC
- (3,3,5-trimethylcyclohexyl) prop-2-enoate
- English name
- 3,3,5-trimethylcyclohexyl acrylate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
3,3,5-Trimethylcyclohexyl acrylate86178-38-3(3,3,5-trimethylcyclohexyl) prop-2-enoate2-Propenoic acid, 3,3,5-trimethylcyclohexyl esterisophoryl acrylateQQ3S6CM5VFEINECS 289-200-93,3,5-trimethylcyclohexyl prop-2-enoateNSC-72762DTXSID30888671NSC 72762Acrylic acid, 3,3,5-trimethylcyclohexyl ester
Show more names
,3,5-trimethylcyclohexyl acrylate3,3,5-Trimethylcyclohexyl acrylate(TMCHA)acrylic acid 3,3,5-trimethylcyclohexanol esterPropenoic acid 3,3,5-trimethylcyclohexyl ester3,3,5-Trimethylcyclohexyl Acrylate(cis- and trans- mixture) (stabilized with MEHQ)
3,3,5-TRIMETHYLCYCLOHEXYL 2-PROPENOATERefChem:792062DTXCID301027947289-200-9812-099-587954-40-3MFCD00078291NSC72762
Database identifiers
- CAS
86178-38-3、87954-40-3- PubChem CID
- 98056
- DTXSID
DTXSID30888671- UNII
- QQ3S6CM5VF
- EC Number
- 289-200-9、812-099-5
- Nikkaji
- J333.937H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 40 °C · 40 °C(Press: 0.2 Torr)
- Density
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- vapor pressure
- 12.8 Pa · 12.8Pa at 25℃
- Water Solubility
- 18.3 mg/L · 18.3mg/L at 20℃
- Cosmetics Ingredients Functions
- FILM FORMING
- InChI
- InChI=1S/C12H20O2/c1-5-11(13)14-10-6-9(2)7-12(3,4)8-10/h5,9-10H,1,6-8H2,2-4H3
- InChIKey
- ZMTBGVBNTHTBEC-UHFFFAOYSA-N
- SMILES
- C(OC1CC(C)CC(C)(C)C1)(=O)C=C
- LogP
- 4.6 at · 4.6 at 20℃
- FDA UNII
- 3 S6CM5VF · QQ3S6CM5VF
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester (86178-38-3)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 471 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: 2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester
2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 3,3,5-trimethylcyclohexyl acrylate (EC: 289-200-9)
2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <100,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information
Miscellaneous Manufacturing
2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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