Basic information
- CAS
692-86-4- Standard SMILES
C=CCCCCCCCCC(=O)OCC- InChIKey
FXNFFCMITPHEIT-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763001
Overview
Ethyl 10-undecenoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Ethyl 10-undecenoate
- IUPAC
- ethyl undec-10-enoate
- English name
- Ethyl 10-undecenoate
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
ETHYL 10-UNDECENOATE692-86-4Ethyl undec-10-enoateEthyl undecylenate10-Undecenoic acid, ethyl esterEthyl undecenoateEthyl 10-hendecenoateEthyl 10-undecylenate10-Undecenoic Acid Ethyl EsterFEMA No. 2461MFCD00009220DTXSID4044828
Show more names
FEMA 2461ethylundecenoateETHYL UNDECELENATEEthyl HendecenoateETHYL UNDECYLENOATERARECHEM AL BI 0169Ethylundec-10-enoat
Undecenoic acid, ethyl ester7P1S77T8BFEthyl 10-Undecenoate; Ethyl UndecenoateEINECS 211-734-8BRN 1769949UNII-7P1S77T8BFAI3-00664Undecylenoate Acid
Database identifiers
- CAS
692-86-4- PubChem CID
- 12729
- DTXSID
DTXSID4044828- ChEMBL
CHEMBL3182950- ChEBI
CHEBI:171792- UNII
- 7P1S77T8BF
- EC Number
- 211-734-8
- Nikkaji
- J61.754G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl 10-undecenoate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.877-0.882
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
258.00 to 259.00 °C. @ 760.00 mm Hg
258-259 °C
Melting Point-38 °C
Refractive Index1.436-1.442
Physical Description
Liquid; [Sigma-Aldrich MSDS]
Liquid
colourless to pale yellow liquid
Physicochemical properties
- Melting point
- -38 °C · -38 °C
- Boiling point
- 258 · 258-259 °C/761 mmHg (lit.)
- Density
- 0.879 g/mL · 0.879 g/mL at 25 °C (lit.)
- vapor pressure
- 0.73 Pa · 0.73Pa at 20℃
- FLAVIS Number
- 9.237 · 09.237 | Ethyl undec-10-enoate
- refractive index
- 20 · n20/D 1.439(lit.)
- FEMA
- 2461 · 2461 | ETHYL 10-UNDECENOATE
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Yellow
- Odor
- 100 % · at 100.00 %. waxy fruity clean creamy soapy cognac
- Odor Type
- fatty
- biological source
- synthetic
- JECFA Number
- 343 · 343
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGPERFUMING
- InChI
- 1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3
- InChIKey
- FXNFFCMITPHEIT-UHFFFAOYSA-N
- SMILES
- CCOC(=O)CCCCCCCCC=C
- LogP
- 5.15 · 5.15
- Substances Added to Food (formerly EAFUS)
- 10 · ETHYL 10-UNDECENOATE
- FDA 21 CFR
- 172.515 · 172.515
- CAS DataBase Reference
- 692 · 692-86-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 P1S77T8BF · 7P1S77T8BF
- EPA Substance Registry System
- 10 · 10-Undecenoic acid, ethyl ester (692-86-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves
- WGK Germany
- 2 · 2
- RTECS
- 2978400 · YQ2978400
- TSCA
- TSCA listed
- HS Code
- 29161900 · 29161900
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (236 of 236) of all reports.
Not Classified
Aggregated GHS information provided per 236 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 10-Undecenoic acid, ethyl ester
Status: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22310
10-Undecenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 10-Undecenoic acid, ethyl ester: Human health tier I assessment
Hazards SummaryA mild skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A mild skin irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- YQ2978400
- hs_code
- 29161900
- Storage Class
- 10 - Combustible liquids
- REACH Registrations
- Active
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information10-Undecenoic acid, ethyl ester: ACTIVE
Applications
OccurrenceReported found in cognac
Uses10-Undecenoic Acid Ethyl Ester is used to make luminescent silicon quantum dots for imaging of cancer cells.
General DescriptionEthyl 10-undecenoate is a volatile organic compound that is reported to form during the thermal oxidative decomposition of linolenates.
Preparation methods
PreparationBy heating the corresponding acid together with HCl in ethyl alcohol solution at 70°C or with H2SO4 in alcoholic solution.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers61 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
吉良化学21-62165282 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
武汉卡诺斯科技有限公司18064039730 · [email protected]
BOC Sciences[email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-88380327 17691182729 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Additional notes
DefinitionChEBI: Ethyl 10-undecenoate is a fatty acid ester.
Related reactions
4 records
Compound notes
Loading…