Basic information
- CAS
20279-25-8- Standard SMILES
CCC(=O)OC1CC2CCC1(C)C2(C)C- InChIKey
FAFMZORPAAGQFV-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Overview
Isobornyl propionate is a monoterpenoid.
Names & identifiers
- Preferred name
- Borneol propionate
- IUPAC
- (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
- English name
- 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
20279-25-8Borneol, propionateBorneol propionateEINECS 243-673-8NSC 553981,7,7-Trimethylbicyclo[2.2.1]hept-2-yl propionateDTXSID70859764Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, propanoateBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl propionateBicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-propanoateBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate
Show more names
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol propanoate
RefChem:570023Borneol, propionate (8CI)DTXCID90209808243-673-82-Bornyl propionateBORNYL PROPIONATE78548-53-5iso-Bornyl n-propionate
Database identifiers
- CAS
20279-25-8、2756-56-1、78548-53-5- PubChem CID
- 89306
- DTXSID
DTXSID70859764
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
- 15
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Bornyl propionate) -> IFRA transparency List
Density0.968-0.971
Solubility
Soluble in water, oils
Soluble (in ethanol)
Boiling Point
102.00 °C. @ 16.00 mm Hg
245 °C
Refractive Index1.461-1.465
Physical DescriptionColourless oily liquid; Soft-turpentine aroma
Physicochemical properties
- Boiling point
- 237.2 · 237.2±8.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- Cosmetics Ingredients Functions
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Borneol, propionate
Other Safety InformationIMAP assessments - Borneol, propionate: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Additional notes
DefinitionChEBI: Isobornyl propionate is a monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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