Basic information
- Standard SMILES
CCCCOC(OCCCC)N(C)C- InChIKey
GSFFXKGTGPMVLM-UHFFFAOYSA-N- Molecular formula
- C11H25NO2
- Average molar mass
- 203.32 g/mol
- Monoisotopic mass
- 203.18852904
Names & identifiers
- Preferred name
- 1,1-Dibutoxytrimethylamine
- IUPAC
- 1,1-dibutoxy-N,N-dimethylmethanamine
- English name
- 1,1-Dibutoxytrimethylamine
- Molecular formula
- C11H25NO2
- Molecular weight
- 203.32
Names & synonyms
1,1-Dibutoxytrimethylamine18503-90-71,1-dibutoxy-N,N-dimethylmethanamineEINECS 242-387-0GSFFXKGTGPMVLM-UHFFFAOYSA-DTXSID80171702RefChem:409766DTXCID1094193242-387-0InChI=1/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3N,N-Dimethylformamide dibutyl acetalMFCD00015249
Show more names
SKL1152dibutoxymethyl(dimethyl)amineα,α-Dibutoxy-N,N-dimethylmethanamine1,1-DIBUTOXY-N,N-DIMETHYLMETHYLAMINEN,N-DIMETHYLFORMAMIDE DI-N-BUTYL ACETALMethanamine, 1,1-dibutoxy-N,N-dimethyl-
C11H25NO2dimethylformamide dibutylacetalSCHEMBL134247dimethylformamide di-n-butylacetalN,N-DimethylformamidedibutylacetalDibutoxy-N,N-dimethylmethanamine #AKOS025311558N,N-Dimethylformamide di-n-butylacetal
Database identifiers
- CAS
18503-90-7- PubChem CID
- 87683
- DTXSID
DTXSID80171702- EC Number
- 242-387-0
- Nikkaji
- J150.715J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 93 °C12 · 93 °C12 mm Hg(lit.)
- Density
- 0.853 g/mL · 0.853 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.417
- Flash point
- 53 °C · 53°C
- pka
- 5.22 · 5.22±0.50(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.852 · 0.852
- BRN
- 1098693 · 1098693
- InChI
- InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
- InChIKey
- GSFFXKGTGPMVLM-UHFFFAOYSA-N
- SMILES
- C(OCCCC)(OCCCC)N(C)C
- CAS DataBase Reference
- 18503 · 18503-90-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- HS Code
- 2924.19 · 2924.19.8000
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2924.19.8000
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesN,N-Dimethylformamide dibutyl acetal is the suitable reagent used for the simultaneous quantification of cocaine and its primary metabolite, benzoyl ecgonine, from a urine matrix by gas-chromatography. It may be used as reagent for the esterification of fatty acids.
General DescriptionN,N-Dimethylformamide dibutyl acetal (1,1-Dibutoxytrimethylamine, 1,1-Dibutoxy-N,N-dimethylmethylamine) is a dimethylformamide dialkyl acetal. Its synthesis has been reported by Meerwin and coworkers by reaction of N,N-Dimethylformamide diethyl acetal with butanol.
Upstream & downstream products
Upstream raw materials
Suppliers48 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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Aladdin Scientific[email protected]
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Related reactions
3 records
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