Acetoin

Modify Date: 2026-07-02 10:50:19

Acetoin Structure
Acetoin structure
 Common Name Acetoin
CAS Number 513-86-0 Molecular Weight 88.105
Density 1.0±0.1 g/cm3 Boiling Point 145.4±8.0 °C at 760 mmHg
Molecular Formula C4H8O2 Melting Point 15 °C (monomer)
MSDS Chinese USA Flash Point 49.7±11.0 °C
Symbol GHS02 GHS07
GHS02, GHS07		 Signal Word Warning

 Names

Name acetoin
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 145.4±8.0 °C at 760 mmHg
Melting Point 15 °C (monomer)
Molecular Formula C4H8O2
Molecular Weight 88.105
Flash Point 49.7±11.0 °C
Exact Mass 88.052429
PSA 37.30000
LogP -0.43
Vapour Pressure 1.9±0.6 mmHg at 25°C
Index of Refraction 1.408
InChIKey ROWKJAVDOGWPAT-UHFFFAOYSA-N
SMILES CC(=O)C(C)O
Water Solubility SOLUBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EL8790000
CHEMICAL NAME :
2-Butanone, 3-hydroxy-
CAS REGISTRY NUMBER :
513-86-0
BEILSTEIN REFERENCE NO. :
0385636
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C4-H8-O2
MOLECULAR WEIGHT :
88.12
WISWESSER LINE NOTATION :
QY1&V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,509,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,509,1979
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14 gm/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,509,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,509,1979 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
66 gm/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 10,131,1972 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
12600 mg/kg
SEX/DURATION :
male 42 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 10,131,1972

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H315-H319
Precautionary Statements P305 + P351 + P338
Personal Protective Equipment Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes Xi:Irritant
Risk Phrases R10;R36/38
Safety Phrases S26-S36-S36/37
RIDADR UN 2621 3/PG 3
WGK Germany 1
RTECS EL8790000
Packaging Group III
Hazard Class 3
HS Code 2914400090

 Synthetic Route

 Customs

HS Code 2914400090
Summary 2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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 Synonyms

1-ethoxy-2-methyl-1-methylselanyl-propene
Dimethylketol
Acetylmethylcarbinol (May exist as crystalline dimer)
3-hydroxy-2-oxobutane
EINECS 208-174-1
Acetoin
3-Hydroxybutan-2-one
QY1&V1
2-hydroxybutan-3-one
3-Hydroxy-2-butanone
dimethylketene O-ethyl Se-methyl selenoacetal
acetylmethylcarbino
Acetoin (May exist as crystalline dimer)
MFCD00004521
Acetyl methyl carbinol
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Chemsrc provides Acetoin(CAS#:513-86-0) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Acetoin are included as well.>> amp version: Acetoin

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