Methyl hexoate

Modify Date: 2024-01-02 10:40:23

Methyl hexoate Structure
Methyl hexoate structure
Common Name Methyl hexoate
CAS Number 106-70-7 Molecular Weight 130.185
Density 0.9±0.1 g/cm3 Boiling Point 149.8±3.0 °C at 760 mmHg
Molecular Formula C7H14O2 Melting Point −71 °C(lit.)
MSDS Chinese USA Flash Point 45.0±0.0 °C
Symbol GHS02
GHS02
Signal Word Warning

 Names

Name methyl hexanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 149.8±3.0 °C at 760 mmHg
Melting Point −71 °C(lit.)
Molecular Formula C7H14O2
Molecular Weight 130.185
Flash Point 45.0±0.0 °C
Exact Mass 130.099380
PSA 26.30000
LogP 2.30
Vapour Pressure 4.0±0.3 mmHg at 25°C
Index of Refraction 1.406
Stability Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO8401400
CHEMICAL NAME :
Hexanoic acid, methyl ester
CAS REGISTRY NUMBER :
106-70-7
BEILSTEIN REFERENCE NO. :
1744683
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C7-H14-O2
MOLECULAR WEIGHT :
130.21

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: 20,745,1982
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
14 gm/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,82,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
48 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RESJAS Journal of the Reticuloendothelial Society. (1964) (Res: Journal of the Reticuloendothelial Society, New York) V.1(1)-14(6), 1964-73. Volume(issue)/page/year: 3,250,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
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: 20,745,1982
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
11500 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(5),61,1986 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0807 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 476 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0807 No. of Facilities: 42 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 255 (estimated)

 Safety Information

Symbol GHS02
GHS02
Signal Word Warning
Hazard Statements H226
Precautionary Statements P210-P370 + P378
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes F+
Risk Phrases R10
Safety Phrases S43-S16
RIDADR UN 3272 3/PG 3
WGK Germany 1
RTECS MO8401400
Packaging Group III
Hazard Class 3
HS Code 29159080

 Synthetic Route

 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%

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 Synonyms

EINECS 203-425-1
Caproic acid methyl ester
Methyl n-hexoate
Methyl hexoate
Methyl hexanoate
Hexanoic acid,methyl ester
Caproic acid methyl ester,Methyl caproate
Hexanoic acid, methyl ester
Hexanoic acid methyl ester
Methyl caproate
Methyl capronate
Caproic acid, methyl ester
Caprylic acid methyl ester
Caproic acid methyl ester,Hexanoic acid methyl ester,Methyl caproate
Methyl hexylate
Methyl n-hexanoate
methyl butylacetate
MFCD00009510
n-Caproic acid methyl ester
methyl n-caproate