Basic information
- CAS
141-11-7- Standard SMILES
C=C(C)CCCC(C)CCOC(C)=O- InChIKey
WNXJCQNXNOOMDJ-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Rhodinyl acetate
- IUPAC
- 3,7-dimethyloct-7-enyl acetate
- English name
- RHODINYL ACETATE
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Rhodinyl acetate141-11-73,7-dimethyloct-7-en-1-yl acetate3,7-dimethyloct-7-enyl acetatealpha-Citronellyl acetate7-Octen-1-ol, 3,7-dimethyl-, 1-acetate7-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE3,7-Dimethyl-7-octen-1-yl acetate3,7-Dimethyl-7-octen-1-yl ethanoateRhodinyl ethanoateRhodinol acetate(S)-3,7-Dimethyloct-7-enyl acetate
Show more names
Rhodinylacetatrhodinolacetatealpha-citronellylacetateRHODINYL ACETATE USP/EP/BP3,7-Dimethyl-7-octenyl=acetate3,7-dimethyl-7-octen-1-oacetate3,7-dimethyl-oct-7-enyl acetate3,7-Dimethyl-7-octen-1-ylacetate
EINECS 205-458-7BRN 1906633FEMA 2981.alpha.-Citronellyl acetateSCHEMBL891472DTXSID00861810LMFA07011010AKOS015911034
Database identifiers
- CAS
141-11-7、94481-73-9- PubChem CID
- 8833
- DTXSID
DTXSID00861810- EC Number
- 205-458-7、305-400-1
- Nikkaji
- J184.433D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
FragrancesFragrance Ingredient (Rhodinyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.895-0.908
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water
1 ml in 2 ml 80% alcohol remains in soln to 10 ml (in ethanol)
Boiling Point237 °C
Refractive Index1.450-1.458
Physical Descriptioncolourless to slightly yellow liquid/light, fresh, rose-like odour
Physicochemical properties
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 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1439 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 7-Octen-1-ol, 3,7-dimethyl-, acetate
7-Octen-1-ol, 3,7-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 7-Octen-1-ol, 3,7-dimethyl-, acetate: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (97.3%)
Safety data
- tsca
- TSCA listed
- rtecs
- RH3425000
- ridadr
- UN 1993 3/PG 3
- Toxicity
- The acute oral LD50 was reported to be > 5 ml/kg in the rat (Levenstein, 1973a). The acute dermal LD50 was reported to be > 5 ml/kg in the rabbit (Levenstein, 1973b).
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- safety_code
- 16-26-36
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information7-Octen-1-ol, 3,7-dimethyl-, 1-acetate: ACTIVE
Applications
OccurrenceFound in geranium oil.
UsesPerfumery, flavoring agent.
Preparation methods
PreparationBy acetylation of rhodinol from geranium oil.
Upstream & downstream products
Upstream raw materials
Suppliers19 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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