Basic information
- CAS
7367-90-0- Standard SMILES
CCCCCC(O)CC(=O)OCC- InChIKey
VGWUJHSTGYCXQQ-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- Ethyl 3-hydroxyoctanoate
- IUPAC
- ethyl 3-hydroxyoctanoate
- English name
- ethyl 3-hydroxyoctanoate
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
Ethyl 3-hydroxyoctanoate7367-90-0UNII-6RC31Z1JXT6RC31Z1JXTOctanoic acid, 3-hydroxy-, ethyl esterEINECS 230-919-4FEMA NO. 4453DTXSID80864046CAPRYLIC ACID, .BETA.-HYDROXY-, ETHYL ESTERRefChem:138700DTXCID50812599(+-)-ETHYL 3-HYDROXYOCTANOATE
Show more names
3-Hydroxycaprylic acid ethyl esterBoldine Impurity 4 (Boldine EP Impurity D)
ETHYL 3-HYDROXYOCTANOATE, (+-)-CAPRYLIC ACID, BETA-HYDROXY-, ETHYL ESTER230-919-4VGWUJHSTGYCXQQ-UHFFFAOYSA-NMFCD000829523-Hydroxyoctanoic acid ethyl esterEthyl3-hydroxyoctanoateSCHEMBL1242948
Database identifiers
- CAS
7367-90-0- PubChem CID
- 110975
- DTXSID
DTXSID80864046- UNII
- 6RC31Z1JXT
- EC Number
- 230-919-4
- Nikkaji
- J140.302H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.947-0.955 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point
275.00 to 276.00 °C. @ 760.00 mm Hg
275-276 °C
Refractive Index1.430-1.438
Physical DescriptionColourless clear liquid; Wine-like aroma with fruity floral notes
Physicochemical properties
- Boiling point
- 278 ℃ · 278℃
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Octanoic acid, 3-hydroxy-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
UsesEthyl 3-Hydroxyoctanoate is used in manufacturing process for abrasion-resistant nano heat insulation film.
Suppliers14 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Related reactions
2 records
Compound notes
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