Basic information
- CAS
16356-11-9- Standard SMILES
C=CC=CC=CCCCCC- InChIKey
JQQDKNVOSLONRS-UHFFFAOYSA-N- Molecular formula
- C11H18
- Average molar mass
- 150.26 g/mol
- Monoisotopic mass
- 150.14085057
Names & identifiers
- Preferred name
- 1,3,5-Undecatriene
- IUPAC
- undeca-1,3,5-triene
- English name
- 1,3,5-Undecatriene
- Molecular formula
- C11H18
- Molecular weight
- 150.26
Names & synonyms
undeca-1,3,5-triene16356-11-9DTXSID9047546FEMA No. 3795PWB1EM60KNDTXCID7027546RefChem:1052607240-416-11,3,5-Undecatrienen-undecatriene151123-08-9SCHEMBL112031
Show more names
FEMA 3795UNDECATRIENEEinecs 240-416-1galbanum decatriene1,3E,5Z-UNDECATRIENEUndeca-1,3,5-triene (Isomer 1)CHEMICAL NAME: 1,3,5-UNDECATRIENE
SCHEMBL234430SCHEMBL16034490SCHEMBL16860007SCHEMBL19973697JQQDKNVOSLONRS-UHFFFAOYSA-NNS00082935NS00087001
Database identifiers
- CAS
16356-11-9- PubChem CID
- 61832
- DTXSID
DTXSID9047546- EC Number
- 240-416-1
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1,3,5-Undecatriene) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.788-0.796
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in fats
Soluble (in ethanol)
Boiling Point80-81 °C (12 mm Hg)
Refractive Index1.510-1.518
Physical DescriptionColourless to pale yellow liquid; fruity, green, pineapple, tropical spruce needle aroma
Physicochemical properties
- Boiling point
- 280 · 280-285 °C (lit.)
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
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264, P273, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1465 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3,5-Undecatriene
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,3,5-Undecatriene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAsp. Tox. 1 (100%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- YQ2833000
- hs_code
- 2901.29.5000
- Toxicity
- rabbit,LD50,skin,> 3gm/kg (3000mg/kg),Food and Chemical Toxicology. Vol. 26, Pg. 415, 1988.
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H304
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 4 consumer products that contain Undecatriene in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1,3,5-Undecatriene: ACTIVE
Applications
OccurrenceReported found in apple, celery, kiwi, mandarin, parsley, passion fruit, pear, peach, pineapple, peppermint and galbanum oil.
Usesflavors and fragrances
Preparation methods
PreparationBy dehydration of undeca-1,5-dien-3-ol.
Suppliers47 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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