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

Modify Date: 2025-08-25 08:09:14

1-Pentanol,2,2,4-trimethyl- Structure
1-Pentanol,2,2,4-trimethyl- structure
 Common Name 1-Pentanol,2,2,4-trimethyl-
CAS Number 123-44-4 Molecular Weight 130.22800
Density 0.821 g/cm3 Boiling Point 157.9ºC at 760 mmHg
Molecular Formula C8H18O Melting Point N/A
MSDS N/A Flash Point 56.6ºC

 Names

Name 2.2.4-trimethyl-1-pentanol
Synonym More Synonyms

 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

2,2,4-trimethylpent-4-enal structure

2,2,4-trimethyl...

CAS#:39482-50-3

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

Literature: Brannock Journal of the American Chemical Society, 1959 , vol. 81, p. 3379,3381
2,2,4-Trimethylpentane structure

2,2,4-Trimethyl...

CAS#:540-84-1

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

2,4,4-Trimethylpentan-1-ol structure

2,4,4-Trimethyl...

CAS#:16325-63-6

Literature: Nizova, Galina V.; Bolm, Carsten; Ceccarelli, Simona; Pavan, Chiara; Shul'pin, Georgiy B. Advanced Synthesis and Catalysis, 2002 , vol. 344, # 8 p. 899 - 905
2,2,4-Trimethylpentane structure

2,2,4-Trimethyl...

CAS#:540-84-1

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

2,2,4-trimethyl-3-pentanol structure

2,2,4-trimethyl...

CAS#:5162-48-1

2-Pentanol,2,4,4-trimethyl- structure

2-Pentanol,2,4,...

CAS#:690-37-9

Literature: Shul'pin, Georgiy B.; Kudinov, Aleksandr R.; Shul'pina, Lidia S.; Petrovskaya, Elena A. Journal of Organometallic Chemistry, 2006 , vol. 691, # 5 p. 837 - 845
2,2,4-Trimethylpentane structure

2,2,4-Trimethyl...

CAS#:540-84-1

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

2,2,4-trimethyl-3-pentanol structure

2,2,4-trimethyl...

CAS#:5162-48-1

2,4,4-Trimethylpentan-1-ol structure

2,4,4-Trimethyl...

CAS#:16325-63-6

Detail
Literature: Shul'pin, Georgiy B.; Golfeto, Camilla C.; Suess-Fink, Georg; Shul'pina, Lidia S.; Mandelli, Dalmo Tetrahedron Letters, 2005 , vol. 46, # 27 p. 4563 - 4567
acetic acid-(2,2,4-trimethyl-pent-3-enyl ester) structure

acetic acid-(2,...

CAS#:4194-23-4

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

Literature: Monsanto Chem.Co. Patent: US2889354 , 1955 ;
isobutanol structure

isobutanol

CAS#:78-83-1

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

Literature: Terentjew Bulletin de la Societe Chimique de France, 1925 , vol. <4>37, p. 1555
UNII:WT1X081P0L structure

UNII:WT1X081P0L

CAS#:144-19-4

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

Literature: Monsanto Chem.Co. Patent: US2889354 , 1955 ;
1,3-Pentanediol,2,2,4-trimethyl-,diacetate structure

1,3-Pentanediol...

CAS#:4100-09-8

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

Literature: Monsanto Chem.Co. Patent: US2889354 , 1955 ;
2,2,4-trimethyl-1-phenylpentan-1-one structure

2,2,4-trimethyl...

CAS#:61067-15-0

~%

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

1-Pentanol,2,2,...

CAS#:123-44-4

Literature: Beckwith,A.L.J. Journal of the Chemical Society, 1962 , p. 2248 - 2257

 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%

 Synonyms

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
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