2,2,4-trimethyl-1-pentanol, 123-44-4

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CODE145682 CODE145682
Product(s):
123-44-4 2,2,4-Trimethyl-1-Pentanol > 95%
An impurity of Pentanol which is an alcohol with a characteristic strong smell and a sharp burning taste.

CAS Number:	123-44-4	3D/inchi
ECHA EINECS - REACH Pre-Reg:	204-628-8
FDA UNII:	IX60R7GK8R
Nikkaji Web:	J49.949H
Beilstein Number:	1697386
MDL:	MFCD00021979
XlogP3-AA:	2.40 (est)
Molecular Weight:	130.23066000
Formula:	C8 H18 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	157.00 to 158.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.496000 mmHg (est)
Flash Point:	134.00 °F. TCC ( 56.60 °C. ) (est)
logP (o/w):	2.466 (est)
Soluble in:
	alcohol
	water, 1716 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

2,2,4-Trimethyl-1-Pentanol > 95%

Odor: characteristic

Use: An impurity of Pentanol which is an alcohol with a characteristic strong smell and a sharp burning taste.

Sigma-Aldrich: Aldrich

For experimental / research use only.

2,2,4-Trimethyl-1-pentanol

sds

Safety Information:

Preferred SDS: View

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 2140 ul/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ATAXIA Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 194, 1992.
Dermal Toxicity:
skin-rabbit LD50 2830 ul/kg GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 194, 1992.
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for 2,2,4-trimethyl-1-pentanol usage levels up to:
	not for fragrance use.

Recommendation for 2,2,4-trimethyl-1-pentanol flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :31258

National Institute of Allergy and Infectious Diseases:Data

2,2,4-trimethylpentan-1-ol

Chemidplus:0000123444

References:

	2,2,4-trimethylpentan-1-ol
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	31258
Pubchem (sid):	134974565

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

found in nature

Synonyms:

2,2,4-	diisopropyl methyl carbinol
1-	pentanol, 2,2,4-trimethyl-
2,2,4-	trimethyl pentan-1-ol
2,2,4-	trimethylpentan-1-ol
2,2,4-	trimethylpentanol

Articles:

PubMed:Characteristics of chemical binding to alpha 2u-globulin in vitro--evaluating structure-activity relationships.

PubMed:Identification of urinary metabolites of the nephrotoxic hydrocarbon 2,2,4-trimethylpentane in male rats.

Notes:

None found

2,2,4-trimethyl-1-pentanol 1-pentanol, 2,2,4-trimethyl-

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Articles:

2,2,4-trimethyl-1-pentanol
1-pentanol, 2,2,4-trimethyl-