Basic information
- CAS
56134-05-5- Standard SMILES
C=CC(C)(C=O)CC=C(C)C- InChIKey
FGBSITKWTRVADL-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 2,5-Dimethyl-2-vinyl-4-hexenal
- IUPAC
- 2-ethenyl-2,5-dimethylhex-4-enal
- English name
- 2,5-dimethyl-2-vinylhex-4-enal
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2,5-Dimethyl-2-vinylhex-4-enal56134-05-52,5-Dimethyl-2-vinyl-4-hexenal4-Hexenal, 2-ethenyl-2,5-dimethyl-EINECS 260-006-6QX4080DRHK2-Ethenyl-2,5-dimethyl-4-hexenalDTXSID10866538RefChem:444523DTXCID508148162,5-DIMETHYL-2-VINYL-4-HEXENAL, (+-)-260-006-6
Show more names
neroli aldehyde
2-ethenyl-2,5-dimethylhex-4-enalUNII-QX4080DRHKSCHEMBL2421648FGBSITKWTRVADL-UHFFFAOYSA-NNS000123422,5-DIMETHYL-2-VINYL-4-HEXENAL, (+/-)-Q27287539
Database identifiers
- CAS
56134-05-5- PubChem CID
- 92018
- DTXSID
DTXSID10866538- UNII
- QX4080DRHK
- EC Number
- 260-006-6
- Nikkaji
- J296.577A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 72 · 72-73 °C(Press: 12 Torr)
- Density
- 0.848 · 0.848±0.06 g/cm3(Predicted)
- FLAVIS Number
- 5.143 · 05.143 | 2,5-Dimethyl-2-vinylhex-4-enal
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.503 · 2.503 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4080 DRHK · QX4080DRHK
- EPA Substance Registry System
- 4 · 4-Hexenal, 2-ethenyl-2,5-dimethyl- (56134-05-5)
- 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% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 4-Hexenal, 2-ethenyl-2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
4-Hexenal, 2-ethenyl-2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 4-Hexenal, 2-ethenyl-2,5-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Hexenal, 2-ethenyl-2,5-dimethyl-: INACTIVE
Suppliers2 total
BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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