Octanoic anhydride

HCID 69340CAS 623-66-5

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Basic information

Standard SMILES: CCCCCCCC(=O)OC(=O)CCCCCCC
InChIKey: RAFYDKXYXRZODZ-UHFFFAOYSA-N
Molecular formula: C16H30O3
Average molar mass: 270.41 g/mol
Monoisotopic mass: 270.21949482

Names & identifiers

Preferred name: Octanoic anhydride
IUPAC: octanoyl octanoate
English name: N-CAPRYLIC ANHYDRIDE
Molecular formula: C16H30O3
Molecular weight: 270.41

Names & synonyms

Octanoic anhydride623-66-5EINECS 210-806-6AI3-06135DTXSID70211363NSC 57372RefChem:856031DTXCID70133854210-806-6n-Caprylic Anhydrideoctanoyl octanoaten-Octanoic Anhydride

Show more names

CaprylicanhydrideOctansureanhydridDioctanoic anhydrideBisoctanoic anhydrideBiscaprylic anhydrideBis(octanoic)anhydride

Octanoic acid, anhydrideCaprylic anhydrideMFCD00056161octanoic acid anhydrideNSC-57372Caprylic acid anhydridedioctanoic acid anhydrideNCIOpen2_002293

Database identifiers

CAS: 623-66-5
PubChem CID: 69340
DTXSID: DTXSID70211363
UNII: V35LE6923M
EC Number: 210-806-6
Nikkaji: J95.912J

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 19
Formal charge: 0
Complexity: 212

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: -1 °C · -1 °C
Boiling point: 180 °C · 180 °C / 20mmHg
Density: 0 · 0,91 g/cm3
refractive index: 1.437 to · 1.4370 to 1.4390
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
color: Colorless to Light yellow
Stability: Moisture Sensitive
CAS DataBase Reference: 623 · 623-66-5
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H290
Precautionary statements: 501 · P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 3265 · 3265
HS Code: 2915.9 · 2915.90.1800
HazardClass: 8 · 8
PackingGroup: II
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 3265
hs_code: 2915.90.1800
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H290
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405