Basic information
- CAS
105-89-5- Standard SMILES
C=C(C)CCCC(C)CCOC(=O)CC- InChIKey
HIOFEMJTKIEZFX-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Overview
Rhodinyl propionate is a carboxylic ester.
Names & identifiers
- Preferred name
- 3,7-Dimethyloct-7-enyl propanoate
- IUPAC
- 3,7-dimethyloct-7-enyl propanoate
- English name
- RHODINYL PROPIONATE
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
105-89-53,7-dimethyloct-7-enyl propanoate3,7-dimethyloct-7-en-1-yl propionateSCHEMBL3506899FEMA 2986CHEBI:171791HIOFEMJTKIEZFX-UHFFFAOYSA-NLMFA07011016DB-040661NS00013179rhodinylRhodinylpropionat
Show more names
RHODINYL PROPIONATE3,7-dimethyl-7-octen-1-opropionate3,7-dimethyl-7-octen-1-opropanoate7-Octen-1-ol, 3,7-dimethyl-, propanoate7-Octen-1-ol, 3,7-dimethyl-, 1-propanoatePropionic acid 3,7-dimethyl-7-octenyl esterPropionic acid [3S,(-)]-3,7-dimethyl-7-octene-1-yl ester
Database identifiers
- CAS
105-89-5- PubChem CID
- 7781
- ChEBI
CHEBI:171791- Nikkaji
- J182.202K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Physicochemical properties
- Boiling point
- 274.8 · 274.8±19.0 °C(Predicted)
- Density
- 0.877 · 0.877±0.06 g/cm3(Predicted)
- FLAVIS Number
- 9.141 · 09.141 | Rhodinyl propionate
- FEMA
- 2986 · 2986 | RHODINYL PROPIONATE
- Odor
- 100 % · at 100.00 %. rose geranium verbena
- Odor Type
- floral
- JECFA Number
- 64 · 64
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.82 · 4.82
- Substances Added to Food (formerly EAFUS)
- RHODINYL PROPIONATE
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesRhodinyl propionate is occasionally used as a modifier for the Acetate in Rose, Carnation, Oriental or balsamic fragrance types. It has a richer odor than the Acetate, but it also lacks the freshness of that material. Its sweetness blends very well with balsamic and Citrus-balsamic notes for rich Oriental types.Rhodinyl propionate finds a little use in flavor compositions, e. g. in imitation Plum, Honey, various Berry-compositions and Rose flavors. Its taste is sweet and deep, while Citronellyl propionate is not nearly as sweet or rich. The concentration used in normally about 1 to 5 ppm in the finished product.
Preparation methods
PreparationFrom rhodinol and propionic acid (or anhydride).
Suppliers4 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
BOC Sciences[email protected]
Additional notes
DefinitionChEBI: Rhodinyl propionate is a carboxylic ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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