3-Methyl-3-pentanol
Suppliers
Names
[ CAS No. ]:
77-74-7
[ Name ]:
3-Methyl-3-pentanol
[Synonym ]:
EINECS 201-053-4
MFCD00004483
3-methylpentan-3-ol
3-Methyl-3-pentanol
3-Pentanol, 3-methyl-
Chemical & Physical Properties
[ Density]:
0.8±0.1 g/cm3
[ Boiling Point ]:
122.4±0.0 °C at 760 mmHg
[ Melting Point ]:
-24ºC
[ Molecular Formula ]:
C6H14O
[ Molecular Weight ]:
102.175
[ Flash Point ]:
46.1±0.0 °C
[ Exact Mass ]:
102.104462
[ PSA ]:
20.23000
[ LogP ]:
1.57
[ Vapour Pressure ]:
6.7±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.415
MSDS
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 Word ]:
Warning
[ Hazard Statements ]:
H226-H302
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn
[ Risk Phrases ]:
R10
[ Safety Phrases ]:
24/25
[ RIDADR ]:
UN 2560
[ WGK Germany ]:
3
[ RTECS ]:
SA7450000
[ Packaging Group ]:
III
[ Hazard Class ]:
3.2
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
Bioorg. Med. Chem. 17 , 896-904, (2009)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...