Basic information
- CAS
646-30-0- Standard SMILES
CCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
ISYWECDDZWTKFF-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Overview
Nonadecanoic acid is a C19 straight-chain fatty acid of plant or bacterial origin. An intermediate in the biodegradation of n-icosane, it has been shown to inhibit cancer growth. It has a role as a fungal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a nonadecanoate.
Names & identifiers
- Preferred name
- Nonadecanoic Acid
- IUPAC
- nonadecanoic acid
- English name
- Nonadecanoic acid
- Molecular formula
- C19H38O2
- Molecular weight
- 0
Names & synonyms
NONADECANOIC ACID646-30-0n-Nonadecanoic acidNonadecylic acidH6M3VYC62PC19:0NSC-11914DTXSID3060954CHEBI:39246RefChem:927881DTXCID2044345211-472-4
Show more names
MFCD00002754n-Nonadecylic acidUNII-H6M3VYC62PNSC 11914FA 19:0NonadecanoicAI3-36442NSC11914
Database identifiers
- CAS
646-30-0、68002-88-0- PubChem CID
- 12591
- DTXSID
DTXSID3060954- ChEMBL
CHEMBL1169674- ChEBI
CHEBI:39246- UNII
- H6M3VYC62P
- EC Number
- 211-472-4
- Nikkaji
- J535E
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Boiling Point300.00 °C. @ 760.00 mm Hg
Melting Point69.4 °C
Physical Description
White flakes; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
181.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Fruit fly; Dataset: Unambiguous Lipids]
196.5 Ų [M+H]+
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationNonadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing InformationNonadecanoic acid: ACTIVE
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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