1,1,3-Trimethoxybutane
Basic information
- CAS
10138-89-3- Standard SMILES
COC(C)CC(OC)OC- InChIKey
OMAKZNALRADTRX-UHFFFAOYSA-N- Molecular formula
- C7H16O3
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.10994437
Names & identifiers
- Preferred name
- 1,1,3-Trimethoxybutane
- IUPAC
- 1,1,3-trimethoxybutane
- English name
- 1,1,3-Trimethoxybutane
- Molecular formula
- C7H16O3
- Molecular weight
- 148.2
Names & synonyms
1,1,3-Trimethoxybutane3-Methoxybutyraldehyde dimethyl acetalBUTANE, 1,1,3-TRIMETHOXY-Butyraldehyde, 3-methoxy-, dimethyl acetalNSC 127599BRN 169864940Z28L1KWFAI3-25336NSC-127599UNII-40Z28L1KWFDTXSID008642254-01-00-03985 (Beilstein Handbook Reference)
Show more names
1,1,3-trimethoxy-butan3-Methoxybutyraldehyde dimethyl acetal,98%3-Methoxybutyraldehyde dimethyl acetal 98%
BUTYRALDEHYDE, .BETA.-METHOXY-, DIMETHYL ACETALRefChem:70957DTXCID90812770Butyraldehyde, 3-methoxy-, dimethyl acetal (8CI)BUTYRALDEHYDE, BETA-METHOXY-, DIMETHYL ACETAL626-126-1OMAKZNALRADTRX-UHFFFAOYSA-N10138-89-3
Database identifiers
- CAS
10138-89-3- PubChem CID
- 24994
- DTXSID
DTXSID00864225- UNII
- 40Z28L1KWF
- EC Number
- 626-126-1
- Nikkaji
- J35.121K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 71.3
Physicochemical properties
- Melting point
- 47 ° · 47°
- Boiling point
- 157 °C · 157 °C(lit.)
- Density
- 0.921 g/mL · 0.921 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.403(lit.)
- Flash point
- 117 °F · 117 °F
- InChI
- 1S/C7H16O3/c1-6(8-2)5-7(9-3)10-4/h6-7H,5H2,1-4H3
- InChIKey
- OMAKZNALRADTRX-UHFFFAOYSA-N
- SMILES
- COC(C)CC(OC)OC
- FDA UNII
- 40 Z28L1KWF · 40Z28L1KWF
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302-H315-H319-H335
- Precautionary statements
- 210 · P210-P301+P312+P330-P302+P352-P305+P351+P338
- target organs
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 39 reports by companies from 2 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
- rtecs
- EK7175000
- ridadr
- UN 3271 3/PG 3
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H302-H315-H319-H335
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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