Basic information
- Standard SMILES
CCCCCCCCCC(=O)OCC- InChIKey
RGXWDWUGBIJHDO-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- Ethyl caprate
- IUPAC
- ethyl decanoate
- English name
- Ethyl caprate
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
ETHYL DECANOATEEthyl caprate110-38-3Ethyl decylateDecanoic acid, ethyl esterCapric acid ethyl esterFEMA No. 2432DTXSID0044363GY39FB86UONSC-8909DTXCID8024363CHEBI:87430
Show more names
Ethyl DecenoateFEMA 2432Decanoic acid ethylZolpidemumETHYLCAPRINAT
RefChem:138908203-761-9Decanoic Acid Ethyl EsterEthyl caprinateEthyl n-decanoateCapric acid, ethyl esterNSC 8909Decanoic acid-ethyl ester
Database identifiers
- CAS
110-38-3- PubChem CID
- 8048
- DTXSID
DTXSID0044363- ChEMBL
CHEMBL3184829- ChEBI
CHEBI:87430- UNII
- GY39FB86UO
- EC Number
- 203-761-9
- Nikkaji
- J1.974G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
Density0.863-0.868
Solubility
0.0159 mg/mL at 25 °C
Soluble in most fixed oils, insoluble in glycerol and propylene glycol
1ml in 4ml 80% ethanol (in ethanol)
Boiling Point
241.00 to 245.00 °C. @ 760.00 mm Hg
243 °C
Melting Point-20 °C
Refractive Index1.424-1.427
Physical Description
Liquid
Colourless liquid with an oily brandy-like odour
Kovats Retention Index
1367；1382；1383；1382；1377；1381；1386；1379；1378；1378；1379；1380；1380；1382；1379；1381；1376；1378；1380；1385
1392.2；1395；1393；1392；1396；1373；1399.1；1380；1397；1397；1405；1392；1394；1392；1399；1395；1397；1395；1397；1395
1642；1647；1638；1638；1648；1633；1630；1635；1635；1622；1606；1644；1639；1595；1660；1625；1635；1645；1629；1634
Collision Cross Section154.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044363]
Physicochemical properties
- Melting point
- -20 °C · -20°C
- Boiling point
- 245 °C · 245 °C(lit.)
- Density
- 0.862 g/mL · 0.862 g/mL at 25 °C
- vapor density
- 6.9 · 6.9 (vs air)
- vapor pressure
- 1.8 Pa · 1.8Pa at 20℃
- FLAVIS Number
- 9.059 · 09.059 | Ethyl decanoate
- refractive index
- 20 · n20/D 1.425
- FEMA
- 2432 · 2432 | ETHYL DECANOATE
- Flash point
- 216 °F · 216 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: insoluble
- form
- Liquid
- color
- Clear colorless
- Odor
- 100 % · at 100.00 %. sweet waxy fruity apple grape oily brandy
- Odor Type
- waxy
- biological source
- synthetic
- Viscosity
- 2.5 mm2/s · 2.5mm2/s
- explosive limit
- 0.7 % · 0.7%(V)
- Water Solubility
- insoluble
- Merck
- 14 · 14,3776
- JECFA Number
- 35 · 35
- BRN
- 1762128 · 1762128
- Henry's Law Constant
- 1.2 · 1.2×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGPERFUMINGSKIN CONDITIONING - EMOLLIENT
- InChI
- 1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
- InChIKey
- RGXWDWUGBIJHDO-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCC(=O)OCC
- LogP
- 4.79 · 4.79
- Substances Added to Food (formerly EAFUS)
- ETHYL DECANOATE
- FDA 21 CFR
- 172.515 · 172.515
- CAS DataBase Reference
- 110 · 110-38-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 39 FB86UO · GY39FB86UO
- NIST Chemistry Reference
- Decanoic acid, ethyl ester(110-38-3)
- EPA Substance Registry System
- Ethyl decanoate (110-38-3)
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 2 · 2
- RTECS
- 9420000 · HD9420000
- Autoignition Temperature
- 310 °C · 310°C
- TSCA
- TSCA listed
- HS Code
- 29159080 · 29159080
- 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% (1642 of 1642) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1642 of 1642 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1642 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1642 of 1642 reports by companies.；There are 0 notifications provided by 0 of 1642 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Decanoic acid, ethyl ester
Status: Active Update: 21-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24031
Ethyl decanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory Information
Chemical: Decanoic acid, ethyl ester
Status: Active Update: 21-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24031
Ethyl decanoate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- HD9420000
- hs_code
- 29159080
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- REACH Registrations
- Active
- Autoignition Temperature
- 310°C
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Ethyl Caprate in the following categories is provided:；• Personal Care
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 InformationDecanoic acid, ethyl ester: ACTIVE
Applications
DescriptionEthyl caprate (also known as ethyl decanoate) is the ethyl ester form of caprate. It is a kind of product during the fermentation process of winemaking. It also exists in the essential oils of many kinds of natural fruits. It can be used as a common flavoring agent and food spices.
OccurrenceReported found in cognac, apple, banana, cherry, citrus, grape, melon, pear, pinapple, and more.
UsesEthyl Decanoate, is a fatty acid ester formed from capric acid and ethanol. It is a volatile ester produced during the fermentation in winemaking. It can also be used as a flavor and fragrance ingredients.
Usesmanufacture of wine bouquets, cognac essence.
General DescriptionEthyl decanoate has ethereal, fruity, aromatic note that is considered to be essential for a fine wine flavor.
Preparation methods
PreparationEthyl decanoate is prepared by esterification of decanoic acid and ethyl alcohol in the presence of HCl or H2SO4.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
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北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都蜀擎医药科技有限公司028-18109011186 18109011186 · [email protected]
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吉良化学21-62165282 · [email protected]
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玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
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斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
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南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Additional notes
DefinitionChEBI: Ethyl decanoate is a fatty acid ethyl ester of decanoic acid. It has a role as a metabolite. It is a fatty acid ethyl ester and a decanoate ester.
Related reactions
15 records
Linked notes
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