CAS 123-51-3|3-Methyl-1-butanol

Introduction：Basic information about CAS 123-51-3|3-Methyl-1-butanol, 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. Articles212
7. Synonyms

Common Name	3-Methyl-1-butanol
CAS Number	123-51-3	Molecular Weight	88.148
Density	0.8±0.1 g/cm3	Boiling Point	131.2±0.0 °C at 760 mmHg
Molecular Formula	C₅H₁₂O	Melting Point	-117 °C
MSDS	ChineseUSA	Flash Point	45.6±0.0 °C
Symbol	GHS02, GHS07	Signal Word	Warning

Names

Name	isoamylol
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.8±0.1 g/cm3
Boiling Point	131.2±0.0 °C at 760 mmHg
Melting Point	-117 °C
Molecular Formula	C₅H₁₂O
Molecular Weight	88.148
Flash Point	45.6±0.0 °C
Exact Mass	88.088814
PSA	20.23000
LogP	1.22
Vapour density	3 (vs air)
Vapour Pressure	4.2±0.5 mmHg at 25°C
Index of Refraction	1.405
InChIKey	PHTQWCKDNZKARW-UHFFFAOYSA-N
SMILES	CC(C)CCO
Stability	Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.
Water Solubility	25 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EL5425000

CHEMICAL NAME :: 1-Butanol, 3-methyl-

CAS REGISTRY NUMBER :: 123-51-3

LAST UPDATED :: 199712

DATA ITEMS CITED :: 43

MOLECULAR FORMULA :: C5-H12-O

MOLECULAR WEIGHT :: 88.17

WISWESSER LINE NOTATION :: Q2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Human

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,282,1943

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,196,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,196,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 150 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: 25,282,1943

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1300 mg/kg

TOXIC EFFECTS :: Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes Blood - other changes

REFERENCE :: SAMJAF South African Medical Journal. (Medical Assoc. of South Africa, Secy., P.O. Box 643, Cape Town, S. Africa) V.6- 1932- Volume(issue)/page/year: 43,795,1969

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 813 mg/kg

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

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 132,214,1928

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 233 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: 16,785,1978

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7480 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: 16,785,1978

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 234 mg/kg

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

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 135,330,1962

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 210 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: 16,785,1978

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3438 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - corneal damage Cardiac - pulse rate Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3970 uL/kg

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

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1570 mg/kg

TOXIC EFFECTS :: Behavioral - antipsychotic

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,785,1978 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 27 gm/kg/75W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Blood - leukemia

REFERENCE :: ARGEAR Archiv fuer Geschwulstforschung. (VEB Verlag Volk und Gesundheit Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1949- Volume(issue)/page/year: 45,19,1975

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3800 mg/kg/85W-I

REFERENCE :: ARGEAR Archiv fuer Geschwulstforschung. (VEB Verlag Volk und Gesundheit Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1949- Volume(issue)/page/year: 45,19,1975 *** REVIEWS *** ACGIH TLV-STEL 452 mg/m3 (125 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 ACGIH TLV-TWA 361 mg/m3 (100 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 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 100 ppm (360 mg/m3) 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: 3,139,1971 OSHA PEL (Gen Indu):8H TWA 100 ppm (360 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 100 ppm (360 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 100 ppm (360 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 100 ppm (360 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 100 ppm (360 mg/m3);STEL 125 ppm (450 mg/m3) JAN 1993 OEL-AUSTRIA:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-BELGIUM:TWA 100 ppm (361 mg/m3);STEL 125 ppm (452 mg/m3) JAN 1993 OEL-DENMARK:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-FRANCE:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-GERMANY:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-JAPAN:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-RUSSIA:TWA 100 ppm;STEL 5 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 100 ppm (360 mg/m3);STEL 200 ppm (720 mg/m3) JAN 1993 OEL-TURKEY:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 100 ppm (360 mg/m3);STEL 125 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 ISOAMYL ALCOHOL, primary-air:TWA 100 ppm;STEL 125 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 - 40380 No. of Facilities: 2530 (estimated) No. of Industries: 16 No. of Occupations: 18 No. of Employees: 24606 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 40380 No. of Facilities: 3803 (estimated) No. of Industries: 43 No. of Occupations: 49 No. of Employees: 65499 (estimated) No. of Female Employees: 22006 (estimated)

Safety Information

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H315-H319-H332-H335
Precautionary Statements	P210-P261-P280-P304 + P340 + P312-P337 + P313-P403 + P235
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	R10;R20/22
Safety Phrases	S46-S16
RIDADR	UN 1105 3/PG 3
WGK Germany	1
RTECS	EL5425000
Packaging Group	II
Hazard Class	3
HS Code	2905199090

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%

Articles212

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Synonyms

3-Methyl-1-butanol

Isopentyl 3-methyl-2-butenoate

Isoamyl senecioate

3-methylbutyl alcohol

3-Methyl-2-butenoic acid,3-methylbutyl ester

3-methyl-1-butyl 3-methyl-2-butenoate

Isoamyl Alcohol

MFCD00002934

3-Methyl-crotonsaeure-isopentylester

Isopentyl Alcohol

Isobutylcarbinol

2-methyl-4-butanol

2-Butenoic acid,3-methyl-,3-methylbutyl ester

3-methyl-butan-1-ol

Isopentanol

3-methyl-crotonic acid isopentyl ester

3-methyl-butanol

i-pentyl alcohol

EINECS 204-633-5

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