Basic information
- CAS
594-60-5- Standard SMILES
CC(C)C(C)(C)O- InChIKey
IKECULIHBUCAKR-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- 2,3-Dimethyl-2-butanol
- IUPAC
- 2,3-dimethylbutan-2-ol
- English name
- 2,3-Dimethyl-2-butanol
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
2,3-DIMETHYL-2-BUTANOL2,3-Dimethylbutan-2-olThexyl alcoholZWE5U7S6W9NSC-2312IKECULIHBUCAKR-UHFFFAOYSA-DTXSID60208126(CH3)2CHC(OH)(CH3)2RefChem:81818DTXCID80130617IKECULIHBUCAKR-UHFFFAOYSA-NInChI=1/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3
Show more names
2-Butanol,2,3-dimethyl-DESOXYPINAKONE2,3-dimethyl-2-butanoDimethylisopropylcarbinol2,3-Dimethyl-2-butanol,98%
594-60-5Isopropyldimethylcarbinol2-Butanol, 2,3-dimethyl-MFCD00004463NSC 2312EINECS 209-847-22,3-dimethyl-butan-2-olAI3-17876
Database identifiers
- CAS
594-60-5- PubChem CID
- 11670
- DTXSID
DTXSID60208126- UNII
- ZWE5U7S6W9
- EC Number
- 209-847-2
- Nikkaji
- J2.706E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 55.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP1.48
Physicochemical properties
- Melting point
- -14 °C · -14 °C (lit.)
- Boiling point
- 120 · 120-121 °C (lit.)
- Density
- 0.823 g/mL · 0.823 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.417(lit.)
- Flash point
- 85 °F · 85 °F
- storage temp.
- Flammables area
- form
- Liquid
- pka
- 15.24 · 15.24±0.29(Predicted)
- color
- Clear colorless
- Water Solubility
- 40.12 g/L · 40.12g/L(25 ºC)
- Henry's Law Constant
- 3.8 · 3.8×10-1 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
- InChI
- 1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3
- InChIKey
- IKECULIHBUCAKR-UHFFFAOYSA-N
- SMILES
- CC(C)C(C)(C)O
- LogP
- 1.447 · 1.447 (est)
- FDA UNII
- 5 U7S6W9 · ZWE5U7S6W9
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16-29-33
- RIDADR
- 1987 · UN 1987 3/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29051900 · 29051900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
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
H225 (69%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 129 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Butanol, 2,3-dimethyl-
Hazard Classes and CategoriesFlam. Liq. 2 (69%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29051900
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16-29-33
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P242-P243
Chemistry & industry
Applications
Uses2,3-Dimethyl-2-butanol was used to study the absolute rate co-efficient of the reaction of hydroxyl radical with 2,3-dimethyl-2-butanol.
General Description2,3-Dimethyl-2-butanol is a major product of aging.
Upstream & downstream products
Downstream products
Suppliers29 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
Aladdin Scientific[email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
7 records
Compound notes
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