Isoamyl N-butyrate

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Names

[ CAS No. ]:
106-27-4

[ Name ]:
Isoamyl N-butyrate

[Synonym ]:
Butyric Acid Isoamyl Ester
Butanoic acid, 3-methylbutyl ester
IsoaMyl Butyrate
EINECS 203-380-8
3-methylbutyl butanoate
Isoamyl N-butyrate
isopentyl butyrate
3-Methylbutylbutanoat
MFCD00044888
3-Methylbutyl butyrate

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
176.5±8.0 °C at 760 mmHg

[ Melting Point ]:
-73 °C

[ Molecular Formula ]:
C9H18O2

[ Molecular Weight ]:
158.238

[ Flash Point ]:
57.8±0.0 °C

[ Exact Mass ]:
158.130676

[ PSA ]:
26.30000

[ LogP ]:
3.18

[ Vapour density ]:
5.45 (vs air)

[ Vapour Pressure ]:
1.1±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.417

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET5034000
CHEMICAL NAME :
Butyric acid, isopentyl ester
CAS REGISTRY NUMBER :
106-27-4
BEILSTEIN REFERENCE NO. :
1702557
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C9-H18-O2
MOLECULAR WEIGHT :
158.27
WISWESSER LINE NOTATION :
3VO2Y1&1

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: 17,823,1979 ** 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: 17,823,1979
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: 17,823,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1566 No. of Facilities: 41 (estimated) No. of Industries: 3 No. of Occupations: 29 No. of Employees: 4389 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1566 No. of Facilities: 923 (estimated) No. of Industries: 4 No. of Occupations: 13 No. of Employees: 12334 (estimated) No. of Female Employees: 5090 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38:Irritating to eyes, respiratory system and skin .

[ Safety Phrases ]:
S26-S36/37/39-S24/25

[ RIDADR ]:
UN 3272 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
ET5034000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2915600000

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Methyl-1-butanol
  • Butyric Acid
  • Butanoic anhydride
  • magnesium,2-methylbutane,chloride
  • butyryl-sulfuric acid

DownStream

  • 3-Methylbut-1-ene
  • Butyric Acid
  • 3-Methyl-1-butanol
  • 1-phenylhex-1-yn-3-one

Customs

[ HS Code ]: 2915600000

[ Summary ]:
2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Mosciano, G.

Perfum. Flavor. 2nd ed., 24 , 50, (1999)


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