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2445-76-3

2445-76-3 structure
2445-76-3 structure

Name hexyl propanoate
Synonyms hexylpropanoate
Hexyl Propionate
Propionsaeure-hexylester
EINECS 219-495-1
FEMA No. 2576
Propionic Acid Hexyl Ester
propanoic acid,hexyl ester
1-Hexyl propanoate
1-Hexyl propionate
MFCD00085197
Hexyl propionate (natural)
Density 0.871 g/mL at 25 °C(lit.)
Boiling Point 73-74 °C10 mm Hg(lit.)
Melting Point -57.5ºC
Molecular Formula C9H18O2
Molecular Weight 158.23800
Flash Point 149 °F
Exact Mass 158.13100
PSA 26.30000
LogP 2.51990
Vapour Pressure 0.557mmHg at 25°C
Index of Refraction n20/D 1.413(lit.)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UA2462200
CHEMICAL NAME :
Propanoic acid, hexyl ester
CAS REGISTRY NUMBER :
2445-76-3
BEILSTEIN REFERENCE NO. :
1752269
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H18-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 :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,355,1988
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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,355,1988
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS UA2462200
HS Code 2915509000

~%

2445-76-3 structure

2445-76-3

Literature: Journal of Molecular Catalysis B: Enzymatic, , vol. 98, p. 145 - 154

~74%

2445-76-3 structure

2445-76-3

Literature: Chatterjee, Tanmay; Saha, Debasree; Ranu, Brindaban C. Tetrahedron Letters, 2012 , vol. 53, # 32 p. 4142 - 4144

~94%

2445-76-3 structure

2445-76-3

Literature: Divakar, Soundar Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 9 p. 1919 - 1922

~%

2445-76-3 structure

2445-76-3

Literature: Tetrahedron, , vol. 66, # 33 p. 6468 - 6482

~86%

2445-76-3 structure

2445-76-3

Literature: Kumar; Pandey; Bodas; Dongare Synlett, 2001 , # 2 p. 206 - 209

~%

2445-76-3 structure

2445-76-3

Literature: Journal of the American Chemical Society, , vol. 130, # 44 p. 14474 - 14476

~%

2445-76-3 structure

2445-76-3

Literature: Journal of the American Chemical Society, , vol. 79, p. 4759

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2445-76-3 structure

2445-76-3

Literature: Chemistry and Industry (London, United Kingdom), , p. 1337
HS Code 2915509000
Summary 2915509000 propionic acid, its salts and esters。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%