1,3-Propanediol,2-butyl-2-ethyl-

Names

[ CAS No. ]:
115-84-4

[ Name ]:
1,3-Propanediol,2-butyl-2-ethyl-

[Synonym ]:
2-Ethyl-2-(hydroxymethyl)-1-hexanol
3,3-Bis(hydroxymethyl)heptane
EINECS 204-111-7
2-BUTYL-2-ETHYL-1,3-PROPANEDIOL
MFCD00004697
2-butyl-2-ethylpropane-1,3-diol

Chemical & Physical Properties

[ Density]:
0,93 g/cm3

[ Boiling Point ]:
178 °C50 mm Hg(lit.)

[ Melting Point ]:
41-44 °C(lit.)

[ Molecular Formula ]:
C₉H₂₀O₂

[ Molecular Weight ]:
160.25400

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
160.14600

[ PSA ]:
40.46000

[ LogP ]:
1.55760

[ Vapour Pressure ]:
0.00159mmHg at 25°C

[ Index of Refraction ]:
1.455

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY3605000

CHEMICAL NAME :: 1,3-Propanediol, 2-butyl-2-ethyl-

CAS REGISTRY NUMBER :: 115-84-4

BEILSTEIN REFERENCE NO. :: 1737392

LAST UPDATED :: 199706

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C9-H20-O2

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 :: 5040 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,731,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3810 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,731,1969

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
TY3605000

[ HS Code ]:
2905399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2905399090

[ Summary ]:
2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

Articles

Characterization of polyesters prepared from three different phthalic acid isomers by CID-ESI-FT-ICR and PSD-MALDI-TOF mass spectrometry.

Anal. Chem. 74(16) , 4250-8, (2002)

Polyesters prepared from the same diol, 2-butyl-2-ethyl-1,3-propanediol, but different phthalic acid isomers, phthalic, isophthalic, and terephthalic acid, were characterized by collision-induced diss...

Structural characterization and thermal properties of poly (ethylene terephthalate) copolymers containing 2-butyl-2-ethyl-1, 3-propanediol. Kint DPR, et al.

J. Appl. Polym. Sci. 86(5) , 1077-1086, (2002)

Related Compounds

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