Ethyl 2-hydroxyisobutyrate

HCID 6653
NotesReactions
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Basic information

CAS
80-55-7
Standard SMILES
CCOC(=O)C(C)(C)O
InChIKey
GFUIDHWFLMPAGY-UHFFFAOYSA-N
Molecular formula
C6H12O3
Average molar mass
132.16 g/mol
Monoisotopic mass
132.07864424

Names & identifiers

Preferred name
Ethyl 2-hydroxyisobutyrate
IUPAC
ethyl 2-hydroxy-2-methylpropanoate
English name
Ethyl 2-hydroxyisobutyrate
Molecular formula
C6H12O3
Molecular weight
132.16

Names & synonyms

Ethyl 2-hydroxyisobutyrateEthyl 2-hydroxy-2-methylpropanoateEthyl 2-hydroxy-2-methylpropionateEthyl 2-methyllactateEthyl alpha-hydroxyisobutyratePropanoic acid, 2-hydroxy-2-methyl-, ethyl ester2-Methyllactic acid ethyl esterLACTIC ACID, 2-METHYL-, ETHYL ESTER2-Hydroxyisobutyric Acid Ethyl EsterEthyl .alpha.-hydroxyisobutyrateNSC 4667EINECS 201-290-3
Show more names
Ethyl α-hydroxyisobuEthyl hydroxyisobtyrateEthyl hydroxyisobutyrateEthyl α-hydroxyisobutyraEthyl α-hydroxyisobutyrateEthyl 2-hydroxyisobutanoate
UNII-S1530MCV3XBRN 0878308S1530MCV3XAI3-09122NSC-46672-hydroxy-2-methylpropionic acid ethyl esterDTXSID40738854-03-00-00783 (Beilstein Handbook Reference)

Database identifiers

CAS
80-55-7
PubChem CID
6653
DTXSID
DTXSID4073885
UNII
S1530MCV3X
EC Number
201-290-3
Nikkaji
J132.714C

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9

Physicochemical properties

Melting point
78 °C · 78 °C
Boiling point
150 °C · 150 °C (lit.)
Density
0.965 g/mL · 0.965 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.408(lit.)
Flash point
112 °F · 112 °F
storage temp.
Flammables area

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (87.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.6%): 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)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationEthyl 2-methyllactate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (87.2%)；Eye Irrit. 2A (95.7%)；STOT SE 3 (93.6%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Regulatory information

Regulatory InformationEthyl 2-methyllactate: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
rtecs
OD5672000
ridadr
UN 3272 3/PG 3
hs_code
29181980
risk_code
10-36/37/38-36/38

Chemistry & industry

Applications · 2 items

DescriptionEthyl 2-hydroxyisobutyrate (E-2HIBA) has a wide range of applications in flavor and fragrance ingredients, green solvents, and pharmaceuticals. E-2HIBA has been synthesized by the batch transesterification of methyl 2-hydroxyisobutyrate with ethanol in the presence of titanium tetraethoxide (reaction conditions: 96 h, yield 97 %) and the esterification of 2-HIBA with an acid catalyst. The direct esterification of 2-HIBA with ethanol using an acid catalyst appears to be a commercially viable approach to produce E-2HIBA [1].

UsesSolvent for nitrocellulose and cellulose acetate; solvent mixture for cellulose ethers, organic synthesis, pharmaceuticals.

Upstream & downstream products

Suppliers65 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Related reactions

32 records
New reaction record

Compound notes

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