3-methyl-1,5-pentane diol, 4457-71-0

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CODE145738 CODE145738
Product(s):
4457-71-0 3-Methyl-1,5-pentanediol 95%

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CODE145738 CODE145738
Product(s):
M0710 3-Methyl-1,5-pentanediol >97.0%(GC)
SDS

Name:	3-methylpentane-1,5-diol
CAS Number:	4457-71-0	3D/inchi
ECHA EINECS - REACH Pre-Reg:	224-709-1
FDA UNII:	88495M4HNS
Nikkaji Web:	J34.907K
Beilstein Number:	1697331
MDL:	MFCD00039547
XlogP3:	0.30 (est)
Molecular Weight:	118.17598000
Formula:	C6 H14 O2
BioActivity Summary:	listing
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
DG SANTE Food Contact Materials:	3-methyl-1,5-pentanediol

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	228.60 °C. @ 760.00 mm Hg (est)
Flash Point:	223.00 °F. TCC ( 106.30 °C. ) (est)
logP (o/w):	-0.250 (est)
Soluble in:
	water, 2.617e+004 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.

3-Methyl-1,5-pentanediol 95%

Santa Cruz Biotechnology

For experimental / research use only.

3-Methyl-1,5-pentanediol

Sigma-Aldrich: Aldrich

For experimental / research use only.

3-Methyl-1,5-pentanediol ≥98.0% (GC)

sds

TCI AMERICA

For experimental / research use only.

3-Methyl-1,5-pentanediol >97.0%(GC)

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:
intravenous-mouse LD50 320 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01094
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
information only not used for fragrances or flavors
Recommendation for 3-methyl-1,5-pentane diol usage levels up to:
	not for fragrance use.

Recommendation for 3-methyl-1,5-pentane diol 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):4457-71-0

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :20524

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:1

3-methylpentane-1,5-diol

Chemidplus:0004457710

RTECS:SA0800000 for cas# 4457-71-0

References:

	3-methylpentane-1,5-diol
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	20524
Pubchem (sid):	134985710

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
FDA Indirect Additives used in Food Contact Substances:	View
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2905.39.9000
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

1,5-	dihydroxy-3-methylpentane
3-	methyl pentane-1,5-diol
3-	methyl-1,5-pentanediol
3-	methylpentane-1,5-diol
1,5-	pentanediol, 3-methyl-

Articles:

PubMed:Preliminary crystallographic analysis of a cruciferin protein from seeds of Moringa oleifera.

PubMed:Phase-diagram-guided method for growth of a large crystal of glycoside hydrolase family 45 inverting cellulase suitable for neutron structural analysis.

PubMed:Improved synthesis of three methyl-branched pheromone components produced by the female lichen moth.

Notes:

None found

3-methyl-1,5-pentane diol 1,5-pentanediol, 3-methyl-

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Articles:

3-methyl-1,5-pentane diol
1,5-pentanediol, 3-methyl-