Basic information
- Standard SMILES
CCC(C)CCCCCCCCCCCCC(=O)O- InChIKey
FXUKWLSZZHVEJD-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Names & identifiers
- Preferred name
- Anteisoheptadecanoic acid
- IUPAC
- 14-methylhexadecanoic acid
- English name
- 14-Methylhexadecanoic acid
- Molecular formula
- C17H34O2
- Molecular weight
- 270.45
Names & synonyms
14-METHYLHEXADECANOIC ACID5918-29-6Anteisoheptadecanoic acid14-Methylpalmitic acid14-methyl-hexadecanoic acidCHEBI:84874DTXSID60974612RefChem:915945DTXCID701402036637-371-9Hexadecanoic acid, 14-methyl-(+)-14-methyl palmitic acid
Show more names
ANTEISO C17 ACID14-methyl Palmitic AcidANTEISO-HEPTADECANOIC ACID14-Methylhexadecanoic acid, anteiso C17 Fatty acid
14-METHYLHEXADECANOICACIDSCHEMBL347119orb2944095SCHEMBL8813300LMFA01020011MFCD00214328TCL-00066PD078020
Database identifiers
- CAS
5746-59-8、5918-29-6- PubChem CID
- 22207
- DTXSID
DTXSID60974612- ChEBI
CHEBI:84874- EC Number
- 637-371-9
- Nikkaji
- J426.815F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
Melting Point39.5 - 40 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 36.8 °C · 36.8 °C
- Boiling point
- 358.05 °C · 358.05°C (estimate)
- Density
- 0.8791 · 0.8791 (rough estimate)
- refractive index
- 1.4405 · 1.4405 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform: Soluble,Ethanol: Soluble,Ether: Soluble
- form
- powder
- pka
- 4.78 · 4.78±0.10(Predicted)
- biological source
- synthetic (organic)
- InChI
- 1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
- InChIKey
- FXUKWLSZZHVEJD-UHFFFAOYSA-N
- SMILES
- CCC(C)CCCCCCCCCCCCC(O)=O
- LogP
- 7.5 · 7.500 (est)
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.；There are 2 notifications provided by 39 of 40 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
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Applications
Description14-methyl Palmitic acid is a methylated fatty acid that has been found in bacteria, bovine milk fat, Aegean jellyfish (A. aurita), and one-humped camel (C. dromedarius) meat and fat. It is also found in human breast milk and levels are decreased in mature breast milk compared to colostrum. 14-methyl Palmitic acid is produced in Florida manatee (T. manatus latirostris) liver in response to brevetoxin exposure. [Matreya, LLC. Catalog No. 1616]
Uses14-Methylhexadecanoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers16 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [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]
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]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 14-methylhexadecanoic acid is a methyl-branched fatty acid that is hexadecanoic acid (palmitic acid) substituted by a methyl group at position 14. It has a role as a plant metabolite and a mammalian metabolite. It is a methyl-branched fatty acid, a branched-chain saturated fatty acid and a long-chain fatty acid. It is functionally related to a hexadecanoic acid.
Related reactions
1 records
Linked notes
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