Basic information
- CAS
5299-60-5- Standard SMILES
CCOC(=O)CCCCCO- InChIKey
HYXRUZUPCFVWAH-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- Ethyl 6-hydroxyhexanoate
- IUPAC
- ethyl 6-hydroxyhexanoate
- English name
- Ethyl 6-Hydroxyhexanoate
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
Ethyl 6-hydroxyhexanoate5299-60-5DTXSID60326814RefChem:138846DTXCID50277927962-755-0Hexanoic acid, 6-hydroxy-, ethyl esterMFCD000756016-hydroxyHexanoic acid ethyl ester6-hydroxy-hexanoic acid ethyl ester5-Ethoxycarbonylpentan-1-ol; 6-Hydroxyhexanoic Acid Ethyl Ester; Ethyl 6-Hydroxycaproate; Ethyl epsilon-Hydroxycaproate; NSC 617304NSC617304
Show more names
RARECHEM AK ML 0053Ethyl 6-hydroxycaproateEthyl 6-hydroxyhexanoate 97%6-Hydroxycaproic acid ethyl ester
ethyl-6-hydroxyhexanoateethyl 6-hydroxy-hexanoate5-ethoxycarbonyl-1-pentanolSCHEMBL247007SCHEMBL632459SCHEMBL632460orb2664776orb2900377
Database identifiers
- CAS
5299-60-5- PubChem CID
- 357781
- DTXSID
DTXSID60326814- EC Number
- 962-755-0
- Nikkaji
- J140.282J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 127 · 127-128 °C/12 mmHg (lit.)
- Density
- 0.985 g/mL · 0.985 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.437(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 15.15 · 15.15±0.10(Predicted)
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C8H16O3/c1-2-11-8(10)6-4-3-5-7-9/h9H,2-7H2,1H3
- InChIKey
- HYXRUZUPCFVWAH-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CCCCCO
- LogP
- 0.917 · 0.917 (est)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- PPE
- Eyeshields, Gloves
- WGK Germany
- 3 · 3
- HS Code
- 2918.19 · 2918.19.9000
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2918.19.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 6-Hydroxyhexanoate is used as a reagent in the synthesis of cross-reactive carbohydrate determinants (CCDs) as tools for in vitro allergy diagnosis. Ethyl 6-Hydroxyhexanoate is also used in the preparation of N-5-Carboxypentyl-1-deoxymannojirimycin (C181150); a ligand used for the preparation of an affinity resin specific for Man9 mannosidase.
UsesEthyl 6-hydroxyhexanoate is suitable for use in the synthesis of series of model phenol carbonate ester prodrugs having fatty acid-like structures. It may be used in the preparation of alkyl triflates. It may be used in the synthesis of ethyl 6-(trifluoromethylsulfonyloxy)hexanoate.
General DescriptionEthyl 6-hydroxyhexanoate is an ethyl ester. Its concentration in bordeaux red wines has been evaluated. Two-step preparation of ethyl 6-hydroxyhexanoate via hydrolysis of e-caprolactone has been reported.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海尚饮思生化医药有限公司021-021-57872719 13761402923 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [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]
Yangzhou Model Electronic Materials Co., Ltd.+8613761402923 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
上海孟善化工有限公司21-58226973 18917146209 · [email protected]
Related reactions
46 records
Compound notes
Loading…