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2-Ethylcaproic acid

Names

[ CAS No. ]:
149-57-5

[ Name ]:
2-Ethylcaproic acid

[Synonym ]:
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

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)

MSDS

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

[ 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

Precursor & DownStream

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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