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Basic information
- CAS
19550-30-2- Standard SMILES
CC(C)C(C)CO- InChIKey
SXSWMAUXEHKFGX-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- 2,3-Dimethylbutan-1-ol
- IUPAC
- 2,3-dimethylbutan-1-ol
- English name
- 2,3-dimethylbutan-1-ol
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
2,3-Dimethylbutan-1-ol19550-30-22,3-DIMETHYL-1-BUTANOL1-Butanol, 2,3-dimethyl-EINECS 243-153-020281-85-0SXSWMAUXEHKFGX-UHFFFAOYSA-DTXSID60941324RefChem:442519DTXCID10881943243-153-0InChI=1/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3
Show more names
2,3-DIMETHYLBUTANOLMFCD0002199979956-98-22,3-methylbutanol2-isopropyl-propanolSCHEMBL22856SCHEMBL22857SCHEMBL270511
Database identifiers
- CAS
19550-30-2、20281-85-0、54206-54-1、79956-98-2- PubChem CID
- 29656
- DTXSID
DTXSID60941324- EC Number
- 243-153-0
- Nikkaji
- J94.914K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 41
Experimental & physicochemical properties
Kovats Retention Index
823.9；825.1
835.2
1290；1291
Physicochemical properties
- Melting point
- -48.42 °C · -48.42°C (estimate)
- Boiling point
- 141.85 °C · 141.85°C
- Density
- 0.8255 · 0.8255
- refractive index
- 1.4185 · 1.4185
- pka
- 15.01 · 15.01±0.10(Predicted)
- Henry's Law Constant
- 1.7 · 1.7×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017)
- CAS DataBase Reference
- 19550 · 19550-30-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1-Butanol, 2,3-dimethyl-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Regulatory information
Regulatory InformationChemical: 1-Butanol, 2,3-dimethyl-
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
Chemistry & industry
Suppliers1 total
赛纳斯特化学（欢迎点击联系）021-60343070
Related reactions
2 records
Compound notes
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