CAS 77-74-7|3-Methyl-3-pentanol

Introduction:Basic information about CAS 77-74-7|3-Methyl-3-pentanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-Methyl-3-pentanol
CAS Number77-74-7Molecular Weight102.175
Density0.8±0.1 g/cm3Boiling Point122.4±0.0 °C at 760 mmHg
Molecular FormulaC6H14OMelting Point-24ºC
MSDSChineseUSAFlash Point46.1±0.0 °C
Symbol
GHS02, GHS07
Signal WordWarning

Names

Name3-Methyl-3-pentanol
SynonymMore Synonyms

Chemical & Physical Properties

Density0.8±0.1 g/cm3
Boiling Point122.4±0.0 °C at 760 mmHg
Melting Point-24ºC
Molecular FormulaC6H14O
Molecular Weight102.175
Flash Point46.1±0.0 °C
Exact Mass102.104462
PSA20.23000
LogP1.57
Vapour Pressure6.7±0.4 mmHg at 25°C
Index of Refraction1.415
InChIKeyFRDAATYAJDYRNW-UHFFFAOYSA-N
SMILESCCC(C)(O)CC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA7450000
CHEMICAL NAME :
3-Pentanol, 3-methyl-
CAS REGISTRY NUMBER :
77-74-7
BEILSTEIN REFERENCE NO. :
1731456
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H14-O
MOLECULAR WEIGHT :
102.20
WISWESSER LINE NOTATION :
QX2&2&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
710 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 115,230,1955
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
LDTU** "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931 Volume(issue)/page/year: -,-,1931
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,161,1955

Safety Information

Symbol
GHS02, GHS07
Signal WordWarning
Hazard StatementsH226-H302
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXn
Risk PhrasesR10
Safety Phrases24/25
RIDADRUN 2560
WGK Germany3
RTECSSA7450000
Packaging GroupIII
Hazard Class3.2

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Synonyms

EINECS 201-053-4
MFCD00004483
3-methylpentan-3-ol
3-Methyl-3-pentanol
3-Pentanol, 3-methyl-
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