Isoamyl N-butyrate

Modify Date: 2024-01-02 08:04:24

Isoamyl N-butyrate Structure
Isoamyl N-butyrate structure
Common Name Isoamyl N-butyrate
CAS Number 106-27-4 Molecular Weight 158.238
Density 0.9±0.1 g/cm3 Boiling Point 176.5±8.0 °C at 760 mmHg
Molecular Formula C9H18O2 Melting Point -73 °C
MSDS Chinese USA Flash Point 57.8±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name isoamyl butyrate
Synonym More Synonyms

 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

 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
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

~98%

Isoamyl N-butyrate Structure

Isoamyl N-butyrate

CAS#:106-27-4

Literature: Lozano, Pedro; Bernal, Juana M.; Navarro, Alicia Green Chemistry, 2012 , vol. 14, # 11 p. 3026 - 3033

~%

Isoamyl N-butyrate Structure

Isoamyl N-butyrate

CAS#:106-27-4

Literature: Bulletin de la Societe Chimique de France, , vol. <4>7, p. 839

~%

Isoamyl N-butyrate Structure

Isoamyl N-butyrate

CAS#:106-27-4

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 40, p. 745

 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%

 Articles1

More Articles
Mosciano, G.

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

 Synonyms

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
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