6,10-Dimethylundeca-5,9-dien-2-yl acetate
Basic information
- CAS
3239-35-8- Standard SMILES
CC(=O)OC(C)CCC=C(C)CCC=C(C)C- InChIKey
BXGLLMNDXKACMT-UHFFFAOYSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Names & identifiers
- Preferred name
- 6,10-Dimethylundeca-5,9-dien-2-yl acetate
- IUPAC
- 6,10-dimethylundeca-5,9-dien-2-yl acetate
- English name
- (E)-6,10-dimethylundeca-5,9-dien-2-yl acetate
- Molecular formula
- C15H26O2
- Molecular weight
- 238.36574
Names & synonyms
6,10-dimethylundeca-5,9-dien-2-yl acetate91482-37-0DTXSID7052608RefChem:305937DTXCID5031181Tangerinol(Z)-tangerine acetate5,9-Undecadien-2-ol, 6,10-dimethyl-, acetate, (5E)-SCHEMBL1171362BXGLLMNDXKACMT-UHFFFAOYSA-NRDA482372,6-dimethyl-2,6-undecadien-10-ol acetate
Show more names
tangerine acetate(E)-5-TangerinolEinecs 221-803-4Fuscumol acetatetrans-5-TangerinolTangerinol 9177303(E)-5-tangerine acetate(E)-6,10-Dimethylundeca-5,9-dien-2-ylacetat(E)-6,10-dimethylundeca-5,9-dien-2-yl acetate(E)-6,10-dimethyl-5,9-undecadien-2-yl acetate
G84029
Database identifiers
- CAS
3239-35-8、91482-37-0- PubChem CID
- 76722
- DTXSID
DTXSID7052608- EC Number
- 639-213-4
Properties
Computed structural properties
- XLogP
- 4.7
- 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
- 283
Experimental & physicochemical properties
FragrancesFragrance Ingredient (5,9-Undecadien-2-ol,6,10-dimethyl-,acetate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 100 · 100-102 °C(Press: 1 Torr)
- Density
- 0.893 · 0.893±0.06 g/cm3(Predicted)
- Odor
- Citrus, Fresh, Fruity, Bitter
- Cosmetics Ingredients Functions
- PERFUMING
- EPA Substance Registry System
- 5 · 5,9-Undecadien-2-ol, 6,10-dimethyl-, acetate, (5E)- (3239-35-8)
- 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 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 Information
Chemical: 5,9-Undecadien-2-ol, 6,10-dimethyl-, acetate
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
5,9-Undecadien-2-ol, 6,10-dimethyl-, acetate, (5E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain 5,9-Undecadien-2-ol, 6,10-dimethyl-, 2-acetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information5,9-Undecadien-2-ol, 6,10-dimethyl-, 2-acetate: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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