N,N-Dimethyloctanamide
Basic information
- CAS
1118-92-9- Standard SMILES
CCCCCCCC(=O)N(C)C- InChIKey
VHRUBWHAOUIMDW-UHFFFAOYSA-N- Molecular formula
- C10H21NO
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.16231429
Names & identifiers
- Preferred name
- N,N-Dimethyloctanamide
- IUPAC
- N,N-dimethyloctanamide
- English name
- N,N-Dimethyloctanamide
- Molecular formula
- C10H21NO
- Molecular weight
- 171.28
Names & synonyms
N,N-DimethyloctanamideN,N-DimethylcaprylamideOCTANAMIDE, N,N-DIMETHYL-EINECS 214-272-5DTXSID9027364BRN 1754903UNII-QO63R4XJMKQO63R4XJMKAI3-26660DTXCID707364EC 214-272-5CAPRYLAMIDE, N,N-DIMETHYL-
Show more names
Dimethyl Octyl/Decyl AmideAMD-8TIMTEC-BB SBB007989N,N-DimethyloctamideN,N-OCTAN-DECAN AMIDEN,N-DIMETHYLACTANAMIDEN,N-dimethyl ocatanamide
3-04-00-00128 (Beilstein Handbook Reference)RefChem:161312214-272-5VHRUBWHAOUIMDW-UHFFFAOYSA-N1118-92-9MFCD00043763N,N-dimethyloctanoylamiden,n-dimethyl-octanamid
Database identifiers
- CAS
1118-92-9- PubChem CID
- 14240
- DTXSID
DTXSID9027364- ChEMBL
CHEMBL3181960- UNII
- QO63R4XJMK
- EC Number
- 214-272-5
- Nikkaji
- J42.509E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physical DescriptionLiquid; CBI
Collision Cross Section146.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9027364]
Physicochemical properties
- Boiling point
- 301.29 °C · 301.29°C (rough estimate)
- Density
- 0.9419 · 0.9419 (rough estimate)
- refractive index
- 1.4621 · 1.4621 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -0.4 · -0.40±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 63 R4XJMK · QO63R4XJMK
- EPA Substance Registry System
- Octanamide, N,N-dimethyl- (1118-92-9)
- Symbol(GHS)
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
This chemical does not meet GHS hazard criteria for 9.2% (28 of 303) of reports.
Danger
H315 (90.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 303 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: Octanamide, N,N-dimethyl-
Octanamide, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanamide, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N,N-dimethyloctanamide (EC: 214-272-5)
Octanamide, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (90.8%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2924190090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesCBI
Industry UsesCBI
General Manufacturing Information
CBI
Octanamide, N,N-dimethyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
0 records
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Compound notes
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