Basic information
- CAS
10051-44-2- Standard SMILES
CCCCCC(=O)[O-].[Na+]- InChIKey
UDWXLZLRRVQONG-UHFFFAOYSA-M- Molecular formula
- C6H11NaO2
- Average molar mass
- 138.14 g/mol
- Monoisotopic mass
- 138.06567387
Overview
Sodium hexanoate is an organic sodium salt resulting from the replacement of the proton from the carboxy group of hexanoic acid by a sodium ion. It has a role as a human metabolite. It contains a hexanoate.
Names & identifiers
- Preferred name
- Sodium hexanoate
- IUPAC
- sodium hexanoate
- English name
- n-Caproic acid sodium salt
- Molecular formula
- C6H11NaO2
- Molecular weight
- 138.14
Names & synonyms
Sodium hexanoate10051-44-2Sodium caproatesodium capronateHexanoic acid, sodium salt (1:1)HEXANOIC ACID, SODIUM SALTsodium n-caproateCaproic acid sodium saltE00CG11S66DTXSID8064933CHEBI:114126RefChem:183912
Show more names
Sodiumn-caproateSODIUM N-HEXANOATEhexanoic acid sodiumSodium Hexanoate >Sodium Hexanoate-13CN-caproic acid sodium
DTXCID8032544233-179-0N-CAPROICACIDSODIUMSALTsodium;hexanoateHexanoic acid sodium saltN-Caproic acid sodium saltn-Hexanoic acid sodium saltMFCD00059056
Database identifiers
- CAS
10051-44-2- PubChem CID
- 4087444
- DTXSID
DTXSID8064933- ChEBI
CHEBI:114126- UNII
- E00CG11S66
- EC Number
- 233-179-0
- Nikkaji
- J98.086B
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 73.5
Experimental & physicochemical properties
Chemical ClassesMetals -> Organic Acids, Metal Salts
Physical DescriptionWhite solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 350 °C · 350 °C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Water Solubility
- almost transparency in Water
- form
- Powder
- color
- White
- BRN
- 3631527 · 3631527
- InChI
- InChI=1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1
- InChIKey
- UDWXLZLRRVQONG-UHFFFAOYSA-M
- SMILES
- C(C([O-])=O)CCCC.[Na+]
- CAS DataBase Reference
- 10051 · 10051-44-2(CAS DataBase Reference)
- FDA UNII
- 0 CG11S66 · E00CG11S66
- EPA Substance Registry System
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
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationSodium hexanoate: 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 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2915.90.5050
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, sodium salt (1:1): ACTIVE
Applications
UsesSodium Hexanoate is a reagent used in the synthesis of biodegradable biopolymers with improved service properties.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
Related reactions
1 records
Compound notes
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