2-Ethylhexanol

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Names

[ CAS No. ]:
104-76-7

[ Name ]:
2-Ethylhexanol

[Synonym ]:
2-Aethyl-naphthalin
EINECS 203-234-3
Octyl Alcohol
BuCH(Et)CH2OH
2-Ethylhexanol
2-ethylhexyl alcohol
Alcohol, 2-ethylhexyl
2-ethyl-n-hexyl alcohol
ethylnaphthalene
1-Hexanol, 2-ethyl-
2-Ethyl-1-hexanol
2-ethylbenzenenaphthalene
2-ethyl naphthalene
Naphthalene,2-ethyl
2-ethyl-n-hexanol
isooctanol
MFCD00004746
2-ethylhexan-1-ol
hexanol, 2-ethyl-
2-ethyl-hexan-1-ol

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
184.6±0.0 °C at 760 mmHg

[ Melting Point ]:
−76 °C(lit.)

[ Molecular Formula ]:
C₈H₁₈O

[ Molecular Weight ]:
130.228

[ Flash Point ]:
77.2±0.0 °C

[ Exact Mass ]:
130.135757

[ PSA ]:
20.23000

[ LogP ]:
2.82

[ Vapour density ]:
4.49 (vs air)

[ Vapour Pressure ]:
0.2±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.426

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.

[ Water Solubility ]:
1 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP0350000

CHEMICAL NAME :: 1-Hexanol, 2-ethyl-

CAS REGISTRY NUMBER :: 104-76-7

BEILSTEIN REFERENCE NO. :: 1719280

LAST UPDATED :: 199710

DATA ITEMS CITED :: 33

MOLECULAR FORMULA :: C8-H18-O

MOLECULAR WEIGHT :: 130.26

WISWESSER LINE NOTATION :: Q1Y4&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 :: Standard Draize 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 :: 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 :: 3730 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2000 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 - rat

DOSE/DURATION :: >3 gm/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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 650 mg/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 :: Parenteral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4600 mg/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 :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2500 mg/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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 759 mg/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 :: Parenteral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1670 mg/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 :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1180 mg/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 - rabbit

DOSE/DURATION :: 1970 mg/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 :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1860 mg/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 :: 9 gm/kg/11D-I

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 16250 mg/kg/13W-I

TOXIC EFFECTS :: Gastrointestinal - other changes Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 14 gm/kg/17D-I

TOXIC EFFECTS :: Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other hydrolases

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 :: 260 gm/kg/2Y-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7506 mg/kg/11D-I

TOXIC EFFECTS :: Endocrine - changes in spleen weight Blood - changes in other cell count (unspecified) Skin and Appendages - dermatitis, other (after systemic exposure)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 9 gm/kg/11D-I

TOXIC EFFECTS :: Gastrointestinal - other changes Liver - changes in liver weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 16250 mg/kg/13W-I

TOXIC EFFECTS :: Liver - other changes Liver - changes in liver weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1628 mg/kg

SEX/DURATION :: female 12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 12 gm/kg

SEX/DURATION :: female 7-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 12200 mg/kg

SEX/DURATION :: female 6-13 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 500 umol/L

REFERENCE :: EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 45,111,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0262 No. of Facilities: 3280 (estimated) No. of Industries: 67 No. of Occupations: 62 No. of Employees: 45342 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0262 No. of Facilities: 11356 (estimated) No. of Industries: 97 No. of Occupations: 74 No. of Employees: 117564 (estimated) No. of Female Employees: 11656 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ 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 ]:
R21;R36

[ Safety Phrases ]:
S26-S36/39-S36/37/39-S36

[ WGK Germany ]:
2

[ RTECS ]:
MP0350000

[ Packaging Group ]:
I; II; III

[ HS Code ]:
2905199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Ethyl-2-hexenal
propene
carbon monoxide
Hexanal, 2-ethyl-
Butanol
1-hexene
Triethylaluminum
Glycerol
2-Ethylhexyl bromide
Hydroquinone

DownStream

DI-2-ETHYLHEXYL 3,3'-THIODIPROPIONATE
ethane-1,2-diylbis(dichloromethylsilane)
2-Ethylhexyl Benzoate
Methanol
3,4-DI-O-ACETYL-D-XYLAL,
(2R,3R,4S,5R)-2-((2-ethylhexyl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
tris(2-ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
1-((2-Ethylhexyl)oxy)-4-methoxybenzene
UNII:FU2EWB60RT
bis(2-ethylhexyl) phthalate

Customs

[ HS Code ]: 2905199090

[ Summary ]:
2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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