Basic information
- CAS
2110-78-3- Standard SMILES
COC(=O)C(C)(C)O- InChIKey
XYVQFUJDGOBPQI-UHFFFAOYSA-N- Molecular formula
- C5H10O3
- Average molar mass
- 118.13 g/mol
- Monoisotopic mass
- 118.06299418
Overview
Methyl-2-hydoxyisobutyric acid is a tertiary alcohol.
Names & identifiers
- Preferred name
- Methyl alpha-hydroxyisobutyrate
- IUPAC
- methyl 2-hydroxy-2-methylpropanoate
- English name
- Methyl 2-hydroxyisobutyrate
- Molecular formula
- C5H10O3
- Molecular weight
- 118.13
Names & synonyms
Methyl alpha-hydroxyisobutyrateRefChem:869275Methyl 2-hydroxyisobutyrate2110-78-3Methyl 2-hydroxy-2-methylpropanoateMethyl 2-methyllactatePropanoic acid, 2-hydroxy-2-methyl-, methyl ester2-Hydroxyisobutyric Acid Methyl EsterMethyl 2-hydroxy-2-methylpropionateMethyl2-hydroxyisobutyratemethyl |A-hydroxyisobutyratemethyl 2-hydroxy-2-methyl-propanoate
Show more names
HBMMethyl 2-hydroxybutyrateMethyl α-hydroxyisobthyl α-hydroxyisobutyrateMathyl-2-Hydroxyisobutyrate
MFCD00004457Lactic acid, 2-methyl-, methyl esterMethyl .alpha.-hydroxyisobutyrateMethyl-2-hydoxyisobutyric acidNSC-7305NSC-9381AI3-09121methyl-2-hydroxyisobutyrate
Database identifiers
- CAS
2110-78-3- PubChem CID
- 75024
- DTXSID
DTXSID5062184- ChEBI
CHEBI:166494- UNII
- LV7R5J7XPV
- EC Number
- 218-301-2
- Nikkaji
- J24.771E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 95.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
Physical Description
Liquid
Colorless liquid; [Acros Organics MSDS]
Physicochemical properties
- Boiling point
- 137 °C · 137 °C(lit.)
- Density
- 1.023 g/mL · 1.023 g/mL at 25 °C(lit.)
- vapor pressure
- 8.36 hPa · 8.36hPa at 25℃
- refractive index
- 20 · n20/D 1.411(lit.)
- Flash point
- 108 °F · 108 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- Liquid
- pka
- 13.14 · 13.14±0.29(Predicted)
- color
- Clear colorless
- Water Solubility
- 1000 g/L · 1000g/L at 20℃
- BRN
- 1746607 · 1746607
- InChI
- 1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
- InChIKey
- XYVQFUJDGOBPQI-UHFFFAOYSA-N
- SMILES
- COC(=O)C(C)(C)O
- LogP
- -0.021 at · -0.021 at 23.5℃
- CAS DataBase Reference
- 2110 · 2110-78-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 R5J7XPV · LV7R5J7XPV
- NIST Chemistry Reference
- 2 · Propanoic acid, 2-hydroxy-2-methyl-, methyl ester(2110-78-3)
- EPA Substance Registry System
- 2 · Methyl 2-methyllactate (2110-78-3)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 3272 · UN 3272 3/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29181990 · 29181990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 124 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Propanoic acid, 2-hydroxy-2-methyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-hydroxy-2-methyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23409
Propanoic acid, 2-hydroxy-2-methyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; Inhalation may cause CNS depression and cardiac disturbances; [Acros Organics MSDS] See Butyl isobutyrate.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29181990
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- REACH Registrations
- Active
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesCleaning agent
General Manufacturing Information
Computer and Electronic Product Manufacturing
Propanoic acid, 2-hydroxy-2-methyl-, methyl ester: ACTIVE
Applications
UsesMethyl 2-Hydroxy-2-methylpropanoate is commonly used as a solvent in coating compositions and as a cleaning component.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东艾莎科技有限公司15092135101 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海忝晴化工有限公司+8613816254020 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
贝利科技（重庆）有限公司13862420197
Syntor Fine Chemicals Ltd.+44 (0) 1928 579865 · [email protected]
Syntor Fine Chemicals Ltd.+44 (0) 1928 579865 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
尚科生物医药（上海）有限公司021-68187180 13681683526 · [email protected]
越林试剂021-62960152 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津安浩生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
北京华扬致成科技有限公司13716033033 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [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]
Additional notes
DefinitionChEBI: Methyl-2-hydoxyisobutyric acid is a tertiary alcohol.
Related reactions
47 records
Compound notes
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