2-Ethylcaproic acid

Modify Date: 2024-01-01 22:55:41

2-Ethylcaproic acid Structure
2-Ethylcaproic acid structure
Common Name 2-Ethylcaproic acid
CAS Number 149-57-5 Molecular Weight 144.211
Density 0.9±0.1 g/cm3 Boiling Point 228.0±0.0 °C at 760 mmHg
Molecular Formula C8H16O2 Melting Point -59 °C
MSDS Chinese USA Flash Point 116.6±6.9 °C
Symbol GHS08
GHS08
Signal Word Warning

 Names

Name 2-Ethylhexanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 228.0±0.0 °C at 760 mmHg
Melting Point -59 °C
Molecular Formula C8H16O2
Molecular Weight 144.211
Flash Point 116.6±6.9 °C
Exact Mass 144.115036
PSA 37.30000
LogP 2.72
Vapour density 4.98 (vs air)
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.435
Stability Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases.
Water Solubility 2 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO7700000
CHEMICAL NAME :
Hexanoic acid, 2-ethyl-
CAS REGISTRY NUMBER :
149-57-5
BEILSTEIN REFERENCE NO. :
1750468
LAST UPDATED :
199710
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C8-H16-O2
MOLECULAR WEIGHT :
144.24
WISWESSER LINE NOTATION :
QVY4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>400 ppm/6H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1260 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
6300 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25200 mg/kg/3W-C
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8800 mg/kg/2W-I
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Liver - changes in liver weight Skin and Appendages - hair
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
81116 mg/kg/2W-C
TOXIC EFFECTS :
Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1803 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
630 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 279,75,1992 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84204 No. of Facilities: 711 (estimated) No. of Industries: 23 No. of Occupations: 28 No. of Employees: 15851 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84204 No. of Facilities: 15863 (estimated) No. of Industries: 135 No. of Occupations: 89 No. of Employees: 176189 (estimated) No. of Female Employees: 20117 (estimated)

 Safety Information

Symbol GHS08
GHS08
Signal Word Warning
Hazard Statements H361d
Precautionary Statements P280
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful
Risk Phrases R63
Safety Phrases S36/37
RIDADR UN 3265 8/PG 2
WGK Germany 1
RTECS MO7700000
Packaging Group II
Hazard Class 6.1
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

Octanoic Acid
2-ethyl-1-hexanoic acid
Hexanoic acid, 2-ethyl-
2-ETHYLHEXOIC ACID
2-ethyl-hexansyra
QVY4&2
Ethylhexanoic acid
CARBOXYLIC ACID C8
EINECS 205-743-6
2-Ethylcaproic acid
2-ethylhexanoic
2-Ethylhexanoic acid
2-ethyl-hexanoic acid
MFCD00002675
Neodymoctic acid
Ethylhexoic acid
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