2,3,3-trimethyl pentane, 560-21-4

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CODE148906 CODE148906
Product(s):
560-21-4 2,3,3-TRIMETHYLPENTANE

Name:	2,3,3-trimethylpentane
CAS Number:	560-21-4	3D/inchi
ECHA EINECS - REACH Pre-Reg:	209-207-2
FDA UNII:	J62AAG7FN0
Nikkaji Web:	J44.096E
Beilstein Number:	1696865
XlogP3-AA:	3.80 (est)
Molecular Weight:	114.23146000
Formula:	C8 H18
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:information only not used for fragrances or flavors

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:	114.80 °C. @ 760.00 mm Hg
Vapor Pressure:	27.000000 mmHg @ 25.00 °C.
Soluble in:
	water, 9.91 mg/L @ 25 °C (est)

Organoleptic Properties:

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

2,3,3-TRIMETHYLPENTANE

Santa Cruz Biotechnology

For experimental / research use only.

2,3,3-Trimethylpentane

Safety Information:


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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
information only not used for fragrances or flavors
Recommendation for 2,3,3-trimethyl pentane usage levels up to:
	not for fragrance use.

Recommendation for 2,3,3-trimethyl pentane flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):560-21-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :11215

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

2,3,3-trimethylpentane

Chemidplus:0000560214

RTECS:SA3321000 for cas# 560-21-4

References:

	2,3,3-trimethylpentane
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	11215
Pubchem (sid):	134977633

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
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

	pentane, 2,3,3-trimethyl-
2,3,3-	trimethylpentane

Articles:

PubMed:Release of volatile organic compounds (VOCs) from the lung cancer cell line CALU-1 in vitro.

PubMed:Multivariate study of different beef quality traits from local Spanish cattle breeds.

PubMed:Metabolic and environmental origins of volatile organic compounds in breath.

Notes:

None found

2,3,3-trimethyl pentane pentane, 2,3,3-trimethyl-

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Articles:

2,3,3-trimethyl pentane
pentane, 2,3,3-trimethyl-