Basic information
- CAS
22418-66-2- Standard SMILES
C=C(C=O)C(C)CCC=C(C)C- InChIKey
FAGYGFPZNTYLAO-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Overview
(+/-)-3,7-dimethyl-2-methylene-6-octenal has been reported in Camellia sinensis with data available.
Names & identifiers
- Preferred name
- 3,7-Dimethyl-2-methylene-6-octenal, (+-)-
- IUPAC
- 3,7-dimethyl-2-methylideneoct-6-enal
- English name
- 3,7-Dimethyl-2-methylene-oct-6-enal
- Molecular formula
- C11H18O
- Molecular weight
- 166.26
Names & synonyms
22418-66-23,7-Dimethyl-2-methyleneocta-6-enal3,7-dimethyl-2-methylideneoct-6-enalalpha-Methylenecitronellal6-Octenal, 3,7-dimethyl-2-methylene-3,7-dimethyl-2-methylene-6-octenalK0DB1O9KVLEINECS 244-981-5DTXSID9051872RefChem:487709DTXCID20304313,7-Dimethyl-2-methylene-6-octenal, (+-)-
Show more names
BERGAMALBERGAMOT ALDEHYDEALPHA METHYLENE CITRONELLAL3,7-dimethyl-2-methylene-6-octena3,7-Dimethyl-2-methylenocta-6-enal
6-Octenal,3,7-dimethyl-2-methylene-3,7-Dimethyl-2-methylene-6-octenal, (+/-)-3,7-DIMETHYL-2-METHYLENE-OCT-6-ENALUNII-K0DB1O9KVLSCHEMBL227884FAGYGFPZNTYLAO-UHFFFAOYSA-NAKOS006271626NS00012312
Database identifiers
- CAS
22418-66-2- PubChem CID
- 90776
- DTXSID
DTXSID9051872- UNII
- K0DB1O9KVL
- EC Number
- 244-981-5
- Nikkaji
- J285.506B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3,7-Dimethyl-2-methylenocta-6-enal) -> IFRA transparency List
Physical DescriptionCBI
Physicochemical properties
- Boiling point
- 84 °C · 84 °C(Press: 7 Torr)
- Density
- 0.8708 g/cm3 · 0.8708 g/cm3
- Odor
- 100 % · at 100.00 %. petitgrain bergamot citrus fresh green woody
- Odor Type
- citrus
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.345 · 3.345
- FDA UNII
- 0 DB1O9KVL · K0DB1O9KVL
- EPA Substance Registry System
- 6 · 6-Octenal, 3,7-dimethyl-2-methylene- (22418-66-2)
- 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 99.6% (235 of 236) of all reports.
Not Classified
Aggregated GHS information provided per 236 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 6-Octenal, 3,7-dimethyl-2-methylene-
6-Octenal, 3,7-dimethyl-2-methylene- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 6-Octenal, 3,7-dimethyl-2-methylene- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
6-Octenal, 3,7-dimethyl-2-methylene-: 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
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 1 consumer products that contain Dimethyl-2-Methyleneoct-6-Enal in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
6-Octenal, 3,7-dimethyl-2-methylene-: ACTIVE
Suppliers16 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
上海鼎芬化学科技有限公司021-57450129 17701764569 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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