butan-1-(2H)ol
Basic information
- CAS
4712-38-3- Standard SMILES
[2H]OCCCC- InChIKey
LRHPLDYGYMQRHN-UICOGKGYSA-N- Molecular formula
- C4H10O
- Average molar mass
- 75.13 g/mol
- Monoisotopic mass
- 75.07944168
Names & identifiers
- Preferred name
- butan-1-(2H)ol
- IUPAC
- 1-deuteriooxybutane
- English name
- BUTANOL-D1
- Molecular formula
- C4H9DO
- Molecular weight
- 75.13
Names & synonyms
Butan-1-(2H)ol1-Butanol-dButan-1-[2H]olEINECS 225-201-2DTXSID40197044RefChem:121977DTXCID50119535225-201-2Butanol-d14712-38-31-deuteriooxybutanen-Butyl Alcohol-OD
Show more names
N-BUTANOL-ODN-BUTANOL-D11-BUTAN(OL-D)N-BUTAN(OL-D)1-Butanol-O-dButyl alcohol-d(O-2H)-1-Butanol
MFCD00002965Butyl alcohol-d; Butanol-O-d; n-Butanol-O-d;1-Butanol-d1butan-1-(?H)olO-deuterio-butan-1-olButan-1-(~2~H)olSCHEMBL15502154LRHPLDYGYMQRHN-UICOGKGYSA-N
Database identifiers
- CAS
4712-38-3- PubChem CID
- 20836
- DTXSID
DTXSID40197044- EC Number
- 225-201-2
- Nikkaji
- J208.061C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 13.1
Physicochemical properties
- Boiling point
- 118 °C · 118 °C(lit.)
- Density
- 0.821 g/mL · 0.821 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.3975(lit.)
- Flash point
- 95 °F · 95 °F
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Acetone, Chloroform
- form
- Oil
- color
- Clear Colourless
- InChI
- 1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i5D
- InChIKey
- LRHPLDYGYMQRHN-UICOGKGYSA-N
- SMILES
- [2H]OCCCC
- CAS DataBase Reference
- 4712 · 4712-38-3
- UNSPSC Code
- 12352202 · 12352202
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H336-H335-H318-H315-H302
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
Danger
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+P354+P338, P317, P319, P321, P330, P332+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
Regulatory InformationButan-1-(2H)ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1120 3/PG 3
- hs_code
- 2845901000
- risk_code
- 10-22-37/38-41-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- hazard_code
- Xn,F
- safety_code
- 13-26-37/39-46-7/9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
Chemistry & industry
Applications
UsesBUTANOL-D1 is used for the production of dimethylfuran for liquid fuels.
Suppliers
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Related reactions
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Compound notes
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