(2-~13~C)Hexadecanoic acid
Also known as Hexadecanoic acid-2-13C, Palmitic acid-13C, (213C)hexadecanoic acid
Key facts
What buyers check first
- CAS number
- 287100-87-2
- Formula
- C16H32O2
- Molar mass
- 257.42 g/mol
- EC number
- 693-154-9
- HS code
- 284590
- Category
- Isotope-labelled compounds
What is (2-~13~C)Hexadecanoic acid?
Plain description, key identifiers and synonyms
(2-~13~C)Hexadecanoic acid is a chemical substance with the molecular formula C16H32O2 and a molar mass of 257.42 g/mol. Its CAS registry number is 287100-87-2. The IUPAC name is (213C)hexadecanoic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (213C)hexadecanoic acid
- CAS number
- 287100-87-2 CAS number cross-checked
- EC number
- 693-154-9
- Molecular formula
- C16H32O2
- MDL number
- MFCD00083983
- InChIKey
- IPCSVZSSVZVIGE-XPOOIHDOSA-N
- InChI
- InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i15+1
- Canonical SMILES
- CCCCCCCCCCCCCCCC(=O)O
- Isomeric SMILES
- CCCCCCCCCCCCCC[13CH2]C(=O)O
Synonyms
- Hexadecanoic acid-2-13C
- Palmitic acid-13C
- (213C)hexadecanoic acid
- Palmitic Acid-13C (C2 labeled)
- Hexadecanoicacid-2-13c
- Palmitic acid-2-13C
- Palmitic acid-2-13C, 99 atom % 13C
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 257.42 g/molcalc.Computed value |
|---|---|
| Exact mass | 257.2436 Dacalc.Computed value |
| LogP (octanol/water) | 5.55calc.Computed value |
| Topological polar surface area | 37.3 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 14calc.Computed value |
| Heavy atoms | 18calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.94calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H319Causes serious eye irritation.
Precautionary statements (4)
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P337 + P317If eye irritation persists: Get medical help.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid(2-~13~C)Hexadecanoic acid suppliers
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(2-~13~C)Hexadecanoic acid price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code (2-~13~C)Hexadecanoic acid is traded under.
Compounds, inorganic or organic, of such isotopes, whether or not chemically defined
- Ireland55.3%
- Hong Kong11.8%
- United States10.7%
- China24.3%
- Ireland21.9%
- South Korea13.3%
The HS code shown for (2-~13~C)Hexadecanoic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about (2-~13~C)Hexadecanoic acid, based on the data on this page
Is (2-~13~C)Hexadecanoic acid hazardous?
Guides for buyers
Practical guides that help when you source, ship or handle (2-~13~C)Hexadecanoic acid
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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