Basic information
- CAS
764-89-6- Standard SMILES
O=C(O)CCCCCCCO- InChIKey
KDMSVYIHKLZKET-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Overview
8-hydroxyoctanoic acid is an -hydroxy fatty acid that is caprylic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. It is an omega-hydroxy-medium-chain fatty acid and a straight-chain fatty acid. It is functionally related to an octanoic acid.
Names & identifiers
- Preferred name
- 8-Hydroxyoctanoic acid
- IUPAC
- 8-hydroxyoctanoic acid
- English name
- 8-Hydroxyoctanoic acid
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
8-Hydroxyoctanoic acid764-89-6DTXSID40227234CHEBI:79162RefChem:548161DTXCID40149725634-761-0Octanoic acid, 8-hydroxy-8-hydroxy-octanoic acid8-hydroxyoctanoateMFCD007924468-hydroxy caprylic acid
Show more names
8-HYDROXYOCTANSURE8-hydroxyoctanoicaci8-Hydroxyoctanoic acid,90%8-Hydroxyoctanoic acid 98% (T)
8-Hydroxycaprylic acid92348-62-48-Hydroxyoctanoicacidomega-hydroxycaprylic acidomega-hydroxyoctanoic acidSCHEMBL80794orb1992351SCHEMBL1008292
Database identifiers
- CAS
764-89-6- PubChem CID
- 69820
- DTXSID
DTXSID40227234- ChEBI
CHEBI:79162- EC Number
- 634-761-0
- Nikkaji
- J129.296J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 59 · 59-63 °C
- Boiling point
- 130 °C/1mm · 130°C/1mm
- Density
- 1.0227 · 1.0227 (rough estimate)
- refractive index
- 1.437 · 1.4370 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 4.77 · 4.77±0.10(Predicted)
- form
- crystalline powder
- color
- White
- BRN
- 1237092 · 1237092
- InChI
- 1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)
- InChIKey
- KDMSVYIHKLZKET-UHFFFAOYSA-N
- SMILES
- OCCCCCCCC(O)=O
- LogP
- 0.9 · 0.900 (est)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- HS Code
- 2918199890 · 2918199890
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
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
H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.7%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2918199890
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
Uses8-Hydroxyoctanoic Acid is an intermediate in the synthesis of mono-carboxy-isooctyl-phthalate (M525590). 8-Hydroxyoctanoic Acid is also used as a reagent in the synthesis of histone deacetylases (HDAC) inhibitors with an N-formyl hydroxylamine head group which are promising targets for cancer chemotherapy.
General Description8-Hydroxyoctanoic acid is one of the constituents of ‘‘Royal jelly′′ acid found in herbhoneys and genuine honeys.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers86 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
上海钰康生物科技有限公司18939844854 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [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]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
重庆艾思摩尔科技有限公司023-86822659 18611316925 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
格莱斯兰德（天津）医药科技有限公司022-83705301 13752403750 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
BOC Sciences[email protected]
上海康曼生物科技有限公司18800375331 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Additional notes
DefinitionChEBI: An omega-hydroxy fatty acid that is caprylic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.
Related reactions
3 records
Compound notes
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