Methyl 2-nonynoate

Modify Date: 2024-01-08 06:07:58

Methyl 2-nonynoate Structure
Methyl 2-nonynoate structure
Common Name Methyl 2-nonynoate
CAS Number 111-80-8 Molecular Weight 168.233
Density 0.9±0.1 g/cm3 Boiling Point 233.1±0.0 °C at 760 mmHg
Molecular Formula C10H16O2 Melting Point N/A
MSDS Chinese USA Flash Point 100.6±0.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name methyl non-2-ynoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 233.1±0.0 °C at 760 mmHg
Molecular Formula C10H16O2
Molecular Weight 168.233
Flash Point 100.6±0.0 °C
Exact Mass 168.115036
PSA 26.30000
LogP 4.09
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.447
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RB3450000
CHEMICAL NAME :
2-Nonynoic acid, methyl ester
CAS REGISTRY NUMBER :
111-80-8
BEILSTEIN REFERENCE NO. :
1759870
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H16-O2
MOLECULAR WEIGHT :
168.26
WISWESSER LINE NOTATION :
7UU1VO1

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 :
2220 mg/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: 13,871,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2528 No. of Facilities: 2055 (estimated) No. of Industries: 4 No. of Occupations: 3 No. of Employees: 18974 (estimated) No. of Female Employees: 15026 (estimated)

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R36/38
Safety Phrases S26-S36/37/39
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS RB3450000
HS Code 2916190090

 Synthetic Route

~10%

Methyl 2-nonynoate Structure

Methyl 2-nonynoate

CAS#:111-80-8

Literature: Trost, Barry M.; Taft, Benjamin R.; Masters, James T.; Lumb, Jean-Philip Journal of the American Chemical Society, 2011 , vol. 133, # 22 p. 8502 - 8505

~70%

Methyl 2-nonynoate Structure

Methyl 2-nonynoate

CAS#:111-80-8

Literature: Negishi, Ei-ichi; Bagheri, Vahid; Chatterjee, Sugata; Luo, Fen-Tair; Miller, Joseph A.; Stoll, A. Timothy Tetrahedron Letters, 1983 , vol. 24, # 47 p. 5181 - 5184

~%

Methyl 2-nonynoate Structure

Methyl 2-nonynoate

CAS#:111-80-8

Literature: European Journal of Organic Chemistry, , # 13 p. 2507 - 2511

~55%

Detail
Literature: Journal of Organic Chemistry, , vol. 54, # 8 p. 1831 - 1836

~37%

Detail
Literature: Journal of Organic Chemistry, , vol. 52, # 22 p. 4859 - 4863

~%

Methyl 2-nonynoate Structure

Methyl 2-nonynoate

CAS#:111-80-8

Literature: European Journal of Organic Chemistry, , # 13 p. 2507 - 2511

~%

Methyl 2-nonynoate Structure

Methyl 2-nonynoate

CAS#:111-80-8

Literature: Synthetic Communications, , vol. 27, # 17 p. 2993 - 3026

~%

Methyl 2-nonynoate Structure

Methyl 2-nonynoate

CAS#:111-80-8

Literature: Journal of Organic Chemistry, , vol. 19, p. 1580,1587

 Customs

HS Code 2916190090
Summary 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。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:6.5%。general tariff:30.0%

 Articles2

More Articles
Identification of 2-nonynoic acid, a cosmetic component, as a potential trigger of primary biliary cirrhosis.

J. Autoimmun. 27(1) , 7-16, (2006)

Antimitochondrial antibodies (AMA) are unique among autoimmune serologic reactants because of their extremely high association with the index disease primary biliary cirrhosis (PBC). This autoantibody...

Allergic contact dermatitis from methyl heptine and methyl octine carbonates.

Contact Dermatitis 18(3) , 174-5, (1988)

 Synonyms

2-Nonynoic acid, methyl ester
Methyl 2-nonynoate
MFCD00009547
EINECS 203-909-2
methyl non-2-ynoate
2-Nonynoic Acid Methyl Ester
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