CAS 111-80-8|Methyl 2-nonynoate

Introduction：Basic information about CAS 111-80-8|Methyl 2-nonynoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

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	/
MSDS	ChineseUSA	Flash Point	100.6±0.0 °C
Symbol	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
InChIKey	NTLJTUMJJWVCTL-UHFFFAOYSA-N
SMILES	CCCCCCC#CC(=O)OC
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
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

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

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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