Octadecanoic acid, 1,1'-anhydride
Basic information
- CAS
638-08-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC- InChIKey
WVJVHUWVQNLPCR-UHFFFAOYSA-N- Molecular formula
- C36H70O3
- Average molar mass
- 550.9 g/mol
- Monoisotopic mass
- 550.53249609
Names & identifiers
- Preferred name
- Octadecanoic acid, 1,1'-anhydride
- IUPAC
- octadecanoyl octadecanoate
- English name
- STEARIC ANHYDRIDE
- Molecular formula
- C36H70O3
- Molecular weight
- 550.94
Names & synonyms
Stearic anhydride638-08-4Stearic acid anhydrideOctadecanoic acid, 1,1'-anhydrideEINECS 211-318-6DTXSID101014665RefChem:167611DTXCID00811118211-318-6WVJVHUWVQNLPCR-UHFFFAOYSA-Noctadecanoyl octadecanoateOctadecanoic acid, anhydride
Show more names
Distearic anhydrideBisstearic anhydrideStearic anhydride,98%Stearic Anhydride >OCTADECANOIC ANHYDRIDEBisoctadecanoic anhydrideStearic anhydride ( 99+%)octadecanoicacid,anhydride
StearicanhydrideOctadecanoic anhydrideMFCD00009004N-Octadecanoic AnhydrideC36H70O3Octadecanoic anhydride #SCHEMBL152597orb2943964
Database identifiers
- CAS
638-08-4- PubChem CID
- 69485
- DTXSID
DTXSID101014665- EC Number
- 211-318-6
- Nikkaji
- J24.136I
Properties
Computed structural properties
- XLogP
- 16.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 34
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 69 · 69-71°C
- Boiling point
- No information available
- Density
- 0.84 · 0.84
- refractive index
- 1.4362 · 1.4362 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Powder Solid
- color
- White
- BRN
- 445979 · 445979
- InChI
- 1S/C36H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
- InChIKey
- WVJVHUWVQNLPCR-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
- CAS DataBase Reference
- 638 · 638-08-4(CAS DataBase Reference)
- EPA Substance Registry System
- Stearic Anhydride (638-08-4)
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
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 (96.9%): 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 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Octadecanoic acid, anhydride
Octadecanoic acid, anhydride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Octadecanoic acid, anhydride: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (96.9%)
Safety data
- F
- 9-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2915900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 1,1'-anhydride: ACTIVE
Applications
UsesStearic anhydride is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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