Hexylene glycol

Suppliers

Names

[ CAS No. ]:
107-41-5

[ Name ]:
Hexylene glycol

[Synonym ]:
(n)-hexylene glycol
2,4-dihydroxy-2-methylpentane
1,3-dimethyl-3-hydroxybutanol
Pinakon
2-methylpentane-2
Isol
EINECS 203-489-0
2-Methyl-2,4-pentanediol
2-Methylpentane-2,4-diol
UNII:KEH0A3F75J
1,1,3-trimethyl-1,3-propanediol
Pinadon
Hexalene glycol
2-methyl-pentane-2,4-diol
1,3,3-trimethyl-1,3-propanediol
1,6-Hexanediol
MFCD00004547
dihydroxyhexane
hexane-1,6-diol
Hexanediol
Hexylene Glycol
2,4-Pentanediol, 2-methyl-

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
197.5±0.0 °C at 760 mmHg

[ Melting Point ]:
−40 °C(lit.)

[ Molecular Formula ]:
C₆H₁₄O₂

[ Molecular Weight ]:
118.174

[ Flash Point ]:
93.9±0.0 °C

[ Exact Mass ]:
118.099380

[ PSA ]:
40.46000

[ LogP ]:
0.00

[ Vapour density ]:
4.1 (vs air)

[ Vapour Pressure ]:
0.1±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.447

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

[ Water Solubility ]:
soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA0810000

CHEMICAL NAME :: 2,4-Pentanediol, 2-methyl-

CAS REGISTRY NUMBER :: 107-41-5

BEILSTEIN REFERENCE NO. :: 1098298

LAST UPDATED :: 199712

DATA ITEMS CITED :: 35

MOLECULAR FORMULA :: C6-H14-O2

MOLECULAR WEIGHT :: 118.20

WISWESSER LINE NOTATION :: QY1&1XQ1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 11/3/1971

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 82,377,1944

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,777,1978

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. (1810 Frontage Rd., Northbrook, IL 60062) Volume(issue)/page/year: 12-4/1970 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 50 ppm/15M

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - other changes

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,312,1969

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 50 ppm

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - conjunctive irritation Lungs, Thorax, or Respiration - other changes

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,68,1974

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >310 mg/m3/1H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. (1810 Frontage Rd., Northbrook, IL 60062) Volume(issue)/page/year: 12-4/1970

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Gastrointestinal - other changes Kidney, Ureter, Bladder - renal function tests depressed

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 11,150,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3097 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 45,669,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1299 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,5,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - muscle weakness Liver - other changes

REFERENCE :: FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 4,142,1945

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 8560 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,731,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 13 gm/kg

TOXIC EFFECTS :: Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,777,1978

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 2800 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - muscle weakness Liver - other changes

REFERENCE :: FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 4,142,1945 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 33600 mg/kg/28D-C

REFERENCE :: BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. (1810 Frontage Rd., Northbrook, IL 60062) Volume(issue)/page/year: 12-4/1970 *** REVIEWS *** ACGIH TLV-CL 121 mg/m3 (25 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 4(5),223,1985 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 25 ppm (125 mg/m3) JAN 1993 OEL-BELGIUM:STEL 25 ppm (121 mg/m3) JAN 1993 OEL-DENMARK:STEL 25 ppm (125 mg/m3) JAN 1993 OEL-FINLAND:TWA 25 ppm (125 mg/m3);STEL 40 ppm (190 mg/m3) JAN 1993 OEL-FRANCE:STEL 25 ppm (125 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 25 ppm (125 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 5 ppm (125 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 25 ppm (125 mg/m3);STEL 25 ppm JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO HEXYLENE GLYCOL-air:CL 25 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 37630 No. of Facilities: 30332 (estimated) No. of Industries: 224 No. of Occupations: 149 No. of Employees: 373068 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 37630 No. of Facilities: 43088 (estimated) No. of Industries: 253 No. of Occupations: 167 No. of Employees: 754186 (estimated) No. of Female Employees: 231390 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P337 + P313

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
SA0810000

[ HS Code ]:
2905399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Hydroxy-4-methyl-2-pentanone
3,3,5-trimethyl-3,4,5,7-tetrahydro-1H-benzo[g][1,5]dioxonine
2,2-diisopropyl-4,4,6-trimethyl-1,3,2-dioxasilinane
2,2-di-tert-butyl-4,4,6-trimethyl-1,3,2-dioxasilinane
4-(methoxymethoxy)-2-methylpentan-2-ol
4,4,6-trimethyl-1,3-dioxane-2-one
1,1-Ethanediol Diacetate
Isobutylene
2,2,4,4,6-Pentamethyl-1,3-dioxa-2-silacyclohexane

DownStream

1,3-Dioxane,4,4,6-trimethyl-
7-tert-butyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
3-Cyclohexene-1-carboxaldehyde,2,4,6-trimethyl-
4-methyl-1,3-pentadiene
3-Penten-2-ol, 4-methyl-,
(3E)-2-Methyl-1,3-pentadiene
Isobutylene
trans-2-methylpenta-1,3-diene
(E)-2-methyl-1,3-heptadiene
4-methylpent-4-en-2-ol

Customs

[ HS Code ]: 2905399090

[ Summary ]:
2905399090 other diols。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:5.5%。general tariff:30.0%

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