Trimethylol propane

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Names

[ CAS No. ]:
77-99-6

[ Name ]:
Trimethylol propane

[Synonym ]:
Oxacyclobutane
Trimethylene oxide/Oxetane
MFCD00004694
EINECS 201-074-9
Trimethylene Oxide
TMP
Oxetane
Cyclooxabutane
2-ethyl-2-(hydroxymethyl)propane-1,3-diol
Trimethylene oxide (8CI)

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
49.0±0.0 °C at 760 mmHg

[ Melting Point ]:
56-58 °C(lit.)

[ Molecular Formula ]:
C3H6O

[ Molecular Weight ]:
58.079

[ Flash Point ]:
-32.0±15.3 °C

[ Exact Mass ]:
58.041866

[ PSA ]:
60.69000

[ LogP ]:
-0.24

[ Vapour density ]:
4.8 (vs air)

[ Vapour Pressure ]:
317.0±0.0 mmHg at 25°C

[ Index of Refraction ]:
1.412

[ Water Solubility ]:
soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY6470000
CHEMICAL NAME :
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
CAS REGISTRY NUMBER :
77-99-6
BEILSTEIN REFERENCE NO. :
1698309
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C6-H14-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14100 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 32(5),288,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
13700 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 32(5),288,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83589 No. of Facilities: 2495 (estimated) No. of Industries: 28 No. of Occupations: 54 No. of Employees: 33290 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83589 No. of Facilities: 5573 (estimated) No. of Industries: 48 No. of Occupations: 43 No. of Employees: 74356 (estimated) No. of Female Employees: 12646 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
TY6470000

[ HS Code ]:
2905410000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Butyraldehyde
  • 2,2-bis(hydroxymethyl)butanal
  • 2-Ethacrolein
  • Formaldehyde
  • Succinic anhydride
  • N-Hydroxysuccinimide
  • Piperidine
  • Formylpiperidine
  • 2,2-bis(hydroxymethyl)butane-1,4-diol

DownStream

  • 5-ethyl-2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-dioxane
  • Trimethylolpropane trimethacrylate
  • 2,2-bis(octadecanoyloxymethyl)butyl octadecanoate
  • 2-Ethacrolein
  • Methanol
  • Water
  • 3-propylquinoline
  • 5-ethyl-2-phenyl-1,3-dioxane-5-methanol
  • (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol
  • butanoic acid, 3-oxo-, 2-[(1,3-dioxobutoxy)methyl]-2-ethyl-1,3-propandiyl ester

Customs

[ HS Code ]: 2905410000

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Related Compounds

  • Di(trimethylol propane)
  • trimethylol propane trioctanoate
  • trimethylol propane trimethacrylate
  • ETHOXYLATED TRIMETHYLOL PROPANE TRIACRYLATE
  • ethoxylated trimethylol propane triacrylate
  • Phthalic anhydride,trimethylol propane polymer,isononanoate
  • 3-Methyl-2-oxobutane-1-sulfonyl fluoride
  • 2-Oxopentane-1-sulfonyl fluoride
  • 5-(Oxan-2-yl)-1,3-oxazol-2-amine
  • 2-(1-Bicyclo[2.2.2]octanyl)acetic acid
  • Benzyl (3-(aminomethyl)oxetan-3-yl)carbamate
  • 2-(1-ethyl-1H-1,2,4-triazol-5-yl)-2-oxoacetic acid
  • 8-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
  • 5-(3-Methyloxolan-3-yl)-1,2,4-oxadiazol-3-amine
  • C,Ca(2)-Dibutyl N,Na(2)-[1,4-cyclohexanediylbis(methylene)]bis[carbamate]
  • 2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-ol
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