Basic information
- CAS
63449-95-6- Standard SMILES
CCC(=O)OC1CCC(C(C)C)CC1- InChIKey
FFEOEKMMMQFWBO-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Isopropyl cyclohexylpropionate
- IUPAC
- (4-propan-2-ylcyclohexyl) propanoate
- English name
- 4-(isopropyl)cyclohexyl propionate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
4-(Isopropyl)cyclohexyl propionate63449-95-6isopropyl cyclohexylpropionateCyclohexanol, 4-(1-methylethyl)-, propanoateL13P6FT34ZEINECS 264-165-2NSC-29911NSC-53047Cyclohexanol, 4-(1-methylethyl)-, 1-propanoateVEILEX NO. 4DTXSID7052317NSC 29911
Show more names
Propionic acid 4-isopropylcyclohexyl ester
NSC 53047RefChem:792168DTXCID4030889ISOPROPYL CYCLOHEXYLPROPIONATE [INCI]264-165-2(4-propan-2-ylcyclohexyl) propanoateCyclohexanol, propanoateUNII-L13P6FT34Z
Database identifiers
- CAS
63449-95-6- PubChem CID
- 95689
- DTXSID
DTXSID7052317- UNII
- L13P6FT34Z
- EC Number
- 264-165-2
- Nikkaji
- J349.187K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
FragrancesFragrance Ingredient (4-(Isopropyl)cyclohexyl propionate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 233.5 · 233.5±8.0 °C(Predicted)
- Density
- 0.92 · 0.92±0.1 g/cm3(Predicted)
- vapor pressure
- 5.35 Pa · 5.35Pa at 24℃
- Water Solubility
- 13.3 mg/L · 13.3mg/L at 24℃
- Cosmetics Ingredients Functions
- FRAGRANCEPERFUMING
- LogP
- 5.1 at · 5.1 at 25℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 13 P6FT34Z · L13P6FT34Z
- EPA Substance Registry System
- 4 · Cyclohexanol, 4-(1-methylethyl)-, propanoate (63449-95-6)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
- TSCA
- TSCA listed
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 86.7% (78 of 90) of all reports.
H411 (13.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclohexanol, 4-(1-methylethyl)-, propanoate
Cyclohexanol, 4-(1-methylethyl)-, 1-propanoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 4-(1-methylethyl)-, 1-propanoate 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)
REACH registered substance: 4-(isopropyl)cyclohexyl propionate (EC: 264-165-2)
Hazard Classes and CategoriesAquatic Chronic 2 (13.3%)
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanol, 4-(1-methylethyl)-, 1-propanoate: ACTIVE
Suppliers3 total
上海问彩新材料科技有限公司15721586846 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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