Basic information
- 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
Show more names
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
- 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
- F
- 9 · 9-21
- TSCA
- TSCA listed
- HS Code
- 29159000 · 29159000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (96.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (96.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.3%): 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 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Regulatory Information
Chemical: Octadecanoic acid, anhydride
Octadecanoic acid, anhydride: Does not have an individual approval but may be used under an appropriate group standard
Regulatory 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
Safety data
- F
- 9-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29159000
- 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
Uses & manufacturing
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
Suppliers50 total
Related reactions
Linked notes
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