Basic information
- CAS
504-99-4- Standard SMILES
CCC(C)CCCCC(=O)O- InChIKey
GPOPHQSTNHUENT-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Overview
6-Methyl caprylic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 6-Methyloctanoic acid
- IUPAC
- 6-methyloctanoic acid
- English name
- 6-METHYLOCTANOIC ACID
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
6-methyloctanoic acid504-99-4DTXSID00964658RefChem:544010DTXCID80984596824-940-3Anteisononanoic acid6-methyl caprylic acid6-methyl-octanoic acid6-METHYLCAPRYLIC ACIDOctanoic acid, 6-methyl-6-METHYLOCTANOICACID
Show more names
(+)-6-METHYL CAPRYLIC ACID
6-methyl-Octanoic acid; (+/-)-6-Methyloctanoic acid; 6-Methylcaprylic acid; Anteisononanoic acid; ai-Nonanoic acidSCHEMBL50062SCHEMBL50063SCHEMBL5855279SCHEMBL17392765CHEBI:165369GPOPHQSTNHUENT-UHFFFAOYSA-NXDA74911
Database identifiers
- CAS
504-99-4- PubChem CID
- 10447
- DTXSID
DTXSID00964658- ChEBI
CHEBI:165369- EC Number
- 824-940-3
- Nikkaji
- J1.243.494D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physicochemical properties
- Boiling point
- 246.47 °C · 246.47°C (estimate)
- Density
- 0.9113 · 0.9113 (rough estimate)
- refractive index
- 1.4159 · 1.4159 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- Colourless to Pale Yellow
- LogP
- 3.25 · 3.250 (est)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses6-Methyloctanoic acid is a branched fatty acid derivative found in ewe''s milk and cheese. 6-Methyloctanoic acid is converted to lactones via antimycin biosynthetic pathways.
Upstream & downstream products
Downstream products
Suppliers21 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [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17717235263 17717235263 · [email protected]
BOC Sciences[email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
河南卓凡化工有限公司15638881523 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
TopScience Biochemical00852-68527855 · [email protected]
Additional notes
DefinitionChEBI: 6-Methyl caprylic acid is a medium-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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