Basic information
- CAS
673-84-7- Standard SMILES
CC=C(C)C=CC=C(C)C- InChIKey
GQVMHMFBVWSSPF-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Overview
2,6-Dimethyl-2,4,6-octatriene has been reported in Citrus reticulata, Curcuma mangga, and other organisms with data available.
Names & identifiers
- Preferred name
- 2,6-Dimethylocta-2,4,6-triene
- IUPAC
- 2,6-dimethylocta-2,4,6-triene
- English name
- 2,6-Dimethyl-2,4,6-octatriene
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
2,6-Dimethylocta-2,4,6-trieneRefChem:4457332,6-Dimethyl-2,4,6-octatriene673-84-7DTXSID4027288(e,z)-alloocimene(E,E)-2,6-Dimethylocta-2,4,6-triene(4E,6Z)-2,6-Dimethyl-2,4,6-octatriene(4E,6Z)-2,6-dimethylocta-2,4,6-trieneSCHEMBL58047orb1705717SCHEMBL10604649
Show more names
ALLOOCIMENE2,4,6-Octatriene, 2,6-dimethyl-cis-Allo-ocimene2,6-DiMethyl-2,4,6-octatriene (Mixture of isoMers)AI300737AI3 00737AI3-00737CID 12658ALLOCYMENEOcimene, A110
GQVMHMFBVWSSPF-UHFFFAOYSA-N2,6-Dimethyl-2,4,6-octatriene, 80%FD179609NS00079762NS00081189W-109590Q27162288
Database identifiers
- CAS
673-84-7- PubChem CID
- 12658
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
FragrancesFragrance Ingredient (2,6-Dimethylocta-2,4,6-triene) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- -25.5 °C · -25.5°C
- Boiling point
- 73 · 73-75 °C/14 mmHg (lit.)
- Density
- 0.811 g/mL · 0.811 g/mL at 25 °C (lit.)
- refractive index
- 20 · n 20/D 1.542 (lit.)
- FLAVIS Number
- 1.035 · 01.035 | 2,6-Dimethylocta-2,4,6-triene
- Flash point
- 69 °C · 69 °C - closed cup
- storage temp.
- 2 · 2-8°C
- form
- liquid
- Odor
- 100 % · at 100.00 %. sweet floral nut skin peppery herbal tropical
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
Danger
H226 (80.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1598 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,4,6-Octatriene, 2,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2,4,6-Octatriene, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (80.8%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RH2010000
- ridadr
- 1993
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information2,4,6-Octatriene, 2,6-dimethyl-: ACTIVE
Applications
UsesComponent of varnishes and a variety of polymers; fragrance.
General Description2,6-Dimethyl-2,4,6-octatriene (allo-ocimene) is one of the major constituents of Fissistigma maclurei Merr. It was identified in Alphanso mangoes using GC-MS.
Upstream & downstream products
Upstream raw materials
Suppliers40 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
2 records
Compound notes
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