Butyl isovalerate

Modify Date: 2024-01-02 19:44:33

Butyl isovalerate Structure
Butyl isovalerate structure
 Common Name Butyl isovalerate
CAS Number 109-19-3 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 N/A
MSDS Chinese USA Flash Point 59.4±8.3 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name Butyl Isovalerate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 176.5±8.0 °C at 760 mmHg
Molecular Formula C9H18O2
Molecular Weight 158.238
Flash Point 59.4±8.3 °C
Exact Mass 158.130676
PSA 26.30000
LogP 3.18
Vapour Pressure 1.1±0.3 mmHg at 25°C
Index of Refraction 1.417

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1502000
CHEMICAL NAME :
Isovaleric acid, butyl ester
CAS REGISTRY NUMBER :
109-19-3
BEILSTEIN REFERENCE NO. :
1752803
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C9-H18-O2
MOLECULAR WEIGHT :
158.27
WISWESSER LINE NOTATION :
4OV1Y1&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: 18,659,1980 ** 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: 18,659,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
8230 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - corneal damage Cardiac - pulse rate Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972
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: 18,659,1980

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements 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:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR 1993
WGK Germany 2
RTECS NY1502000
Packaging Group III
Hazard Class 3.2
HS Code 2915900090

 Synthetic Route

3-Methylbutanoic acid structure

3-Methylbutanoi...

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Butanol structure

Butanol

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~90%

Butyl isovalerate Structure

Butyl isovalerate

CAS#:109-19-3
Literature: Du, Huan; He, Yanfei; Tan, Zhongqin; Han, Xiaoxiang Asian Journal of Chemistry, 2013 , vol. 25, # 14 p. 7675 - 7678
3-Methylbutanoyl chloride structure

3-Methylbutanoy...

CAS#:108-12-3
Butanol structure

Butanol

CAS#:71-36-3

~85%

Butyl isovalerate Structure

Butyl isovalerate

CAS#:109-19-3
Literature: Nakatani, Akihiro; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro Chemistry - A European Journal, 2013 , vol. 19, # 24 p. 7691 - 7695
carbon monoxide structure

carbon monoxide

CAS#:201230-82-2
Isobutylene structure

Isobutylene

CAS#:115-11-7
Butanol structure

Butanol

CAS#:71-36-3

~%

Butyl isovalerate Structure

Butyl isovalerate

CAS#:109-19-3
Literature: Petroleum Chemistry, , vol. 46, # 2 p. 117 - 121
1-Bromobutane structure

1-Bromobutane

CAS#:109-65-9
3-Methylbutanoic acid structure

3-Methylbutanoi...

CAS#:503-74-2

~%

Butyl isovalerate Structure

Butyl isovalerate

CAS#:109-19-3
Literature: Analytical Chemistry, , vol. 55, # 6 p. 822 - 826

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Articles1

More Articles
Mosciano, G.

Perfum. Flavor. 2nd ed., 24 , 49, (1999)

 Synonyms

1-Butyl isovalerate
Isovaleric acid, butyl ester
UNII-4UX6V9QM2J
Butanoic acid, 3-methyl-, butyl ester
Isovaleric Acid Butyl Ester
Butyl isovalerate
Butyl isopentanoate
n-Butyl isovalerate
n-Butyl isopentanoate
EINECS 203-654-7
MFCD00048775
Butyl 3-methylbutanoate
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