Basic information
- CAS
20770-40-5- Standard SMILES
CC(C)=CCCC(C)CCOC(=O)C=C(C)C- InChIKey
DCEUMOZSMAUPSP-UHFFFAOYSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Names & identifiers
- Preferred name
- Sinodor
- IUPAC
- 3,7-dimethyloct-6-enyl 3-methylbut-2-enoate
- English name
- Citronellyl-3-methylbut-2-enoate
- Molecular formula
- C15H26O2
- Molecular weight
- 238.37
Names & synonyms
20770-40-5Citronellyl senecioate2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl esterCitronellyl seneciateCitronellyl 3,3-dimethylacrylateSINODORK61O222P3D2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl esterSenecioic acid citronellyl esterDTXSID40864961RefChem:931777DTXCID10813421
Show more names
CITRONELLYL-SENECIOATECITRONELLYL SENECIONATECitronellol senecionateCitronellyl-3-methylcrotonatCitronellyl-3-methylbut-2-enoate
citronellyl methylcrotonateCitronellyl 3-methylcrotonate3,7-dimethyloct-6-enyl 3-methylbut-2-enoate3,7-dimethyloct-6-en-1-yl 3-methylbut-2-enoateUNII-K61O222P3DEINECS 244-019-4beta-Citronellyl 3-methyl-2-butenoateAI3-28734
Database identifiers
- CAS
20770-40-5- PubChem CID
- 89382
- DTXSID
DTXSID40864961- UNII
- K61O222P3D
- EC Number
- 244-019-4
- Nikkaji
- J60.759B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Citronellyl 3-methyl-2-butenoate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 165 °C · 165 °C(Press: 2 Torr)
- Density
- 0.893 · 0.893±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. very mild red rose geranium
- Odor Type
- floral
- Cosmetics Ingredients Functions
- FRAGRANCEPERFUMING
- LogP
- 5.645 · 5.645 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 61 O222P3D · K61O222P3D
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester (20770-40-5)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H400
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 > 99.9% (1523 of 1524) of all reports.
Not Classified
Aggregated GHS information provided per 1524 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester
2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H411-H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain Citronellyl Methylcrotonate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Butenoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl ester: ACTIVE
Applications
UsesMethyl crotonic acid citronellol, also known as citronellol tyrosine, is a colorless liquid that can be used in daily chemical fragrances.
Suppliers11 total
HONEST JOY HOLDINGS LIMITED[email protected]
上海遐瑞医药科技有限公司+86 21 61551611
郑州鸿尚科技有限公司0371-55932928 18937192232 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Candia Pharmatech Co. , Ltd.+86-371-55216238
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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