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methyl 3-hydroxybutyrate structure

methyl 3-hydroxybutyrate

 
1. Names and Identifiers
1.1 Name
methyl 3-hydroxybutyrate
1.2 Synonyms
(±)-Methyl 3-hydroxybutanoate; (RS)- Methyl-3-hydroxybutanoate; 2-Methyl-3-hydroxybutanoic acid; 3-hydroxybutanoate; 3-Hydroxybutanoic acid methyl; 3-Hydroxybutyric acid methyl; 3-Hydroxybutyric acid methyl ester; Butanoic acid, 3-hydroxy-, methyl ester; Butanoic acid,3-hydroxy-, methyl ester; Butyric acid, 3-hydroxy-, methyl ester; Methyl (RS)-3-hydroxybutyrate; Methyl 3-hydroxybutanoate; Methyl β-hydroxybutyrate;
1.3 CAS No.
1487-49-6
1.4 CID
15146
1.5 EINECS
223-610-0
1.6 Molecular Formula
C5H10O3
1.7 Inchi
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3
1.8 InChkey
LDLDJEAVRNAEBW-UHFFFAOYSA-N
1.9 Canonical Smiles
CC(CC(=O)OC)O
1.10 Isomers Smiles
CC(CC(=O)OC)O
2. Properties
2.1 Appearance
clear colorless liquid
2.2 pKa
13.95±0.20(Predicted)
2.3 Water Solubility
4.728e+005 mg/L @ 25 °C (est)|Practically insoluble or insoluble in water|Soluble (in ethanol)
2.4 Stability
Stable under normal temperatures and pressures.
2.5 StorageTemp
0-6°C
3. Use and Manufacturing
3.1 Description

Colourless clear liquid; Mild apple like aroma


Methyl 3-hydroxybutyrate is a 3-hydroxy carboxylic acid.

3.2 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 29 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 1 of 29 companies. For more detailed information, please visit ECHA C&L website

Of the 4 notification(s) provided by 28 of 29 companies with hazard statement code(s):

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (10.71%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (89.29%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (89.29%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.

Precautionary Statement Codes
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
4. Safety and Handling
4.1 Safety

Safety Information of Methyl (R)-(-)-3-hydroxybutyrate (CAS NO.3976-69-0):
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37-24/25-23?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37:Wear suitable protective clothing and gloves.?
S24/25:Avoid contact with skin and eyes.?
S23:Do not breathe vapour.
WGK Germany: 3

4.2 Specification

?Methyl (R)-(-)-3-hydroxybutyrate (CAS NO.3976-69-0), its Synonyms are (R)-(-)-3-Hydroxybutyric acid methyl ester ; Methyl (3R)-3-hydroxybutanoate ; Methyl R-3-hydroxybutanoate ; Methyl 3-hydroxybutanoate .

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Synthesis Route
1487-49-6Total: 23 Synthesis Route
 
67-56-1
67-56-1 382 Suppliers
 
1487-49-6
1487-49-6 7 Suppliers
 
75-56-9
75-56-9 118 Suppliers
 
1487-49-6
1487-49-6 7 Suppliers
 
16088-62-3
16088-62-3 121 Suppliers
7. Precursor and Product
precursor:
product:
8. Computed Properties
9.Other Information
Use Classification
Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
10. Toltal 5 Suppliers View more
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11. Realated Product Infomation
 
 
 
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