1-Pentanol,2,2,4-trimethyl-

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Names

[ CAS No. ]:
123-44-4

[ Name ]:
1-Pentanol,2,2,4-trimethyl-

[Synonym ]:
2,2,4-Trimethylpentane-1-ol
2,2,4-trimethyl-pentan-1-ol
2,2,4-trimethylpentanol
diisobutyl alcohol
2,2,4-trimethyl-1-pentano
2,2,4-TRIMETHYL-1-PENTANOL

Chemical & Physical Properties

[ Density]:
0.821 g/cm3

[ Boiling Point ]:
157.9ºC at 760 mmHg

[ Molecular Formula ]:
C8H18O

[ Molecular Weight ]:
130.22800

[ Flash Point ]:
56.6ºC

[ Exact Mass ]:
130.13600

[ PSA ]:
20.23000

[ LogP ]:
2.05100

[ Vapour Pressure ]:
0.961mmHg at 25°C

[ Index of Refraction ]:
1.425

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA7700000
CHEMICAL NAME :
1-Pentanol, 2,2,4-trimethyl-
CAS REGISTRY NUMBER :
123-44-4
BEILSTEIN REFERENCE NO. :
1697386
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C8-H18-O
MOLECULAR WEIGHT :
130.26
WISWESSER LINE NOTATION :
Q1X1&1&1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,194,1992
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,194,1992 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2140 uL/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,194,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2830 uL/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - other changes in urine composition
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,194,1992

Safety Information

[ HS Code ]:
2905199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,2,4-Trimethylpentane
  • 2,2,4-trimethyl-1-phenylpentan-1-one
  • acetic acid-(2,2,4-trimethyl-pent-3-enyl ester)
  • isobutanol
  • UNII:WT1X081P0L
  • 1,3-Pentanediol,2,2,4-trimethyl-,diacetate

DownStream

  • 1-chloro-2,2,4-trimethylpentane
  • Pseudourea, 3,3-dibutyl-2-(2,2,4-trimethylpentyl)-(7CI,8CI)
  • 2,2,4-trimethylpentyl 2-(naphthalen-1-ylamino)benzoate

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%

Related Compounds

  • 1-(2,2,4-trimethyl-cyclohex-3-enyl)-ethanol
  • 1-(2,2,4-trimethyl-3-cyclohexen-1-yl)ethan-1-one
  • 1-(2,2,4-trimethyl-5-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
  • 1-hydroxy-2,2,4-trimethylpentan-3-one
  • 2-Chloro-1-(2,2,4-trimethyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
  • 2,2,4,4-Tetramethyl-1-pentanol