4-methyl-1-hexanol, 818-49-5

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CODE144436 CODE144436
Product(s):
818-49-5 4-METHYL-1-HEXANOL 95%

CAS Number:	818-49-5	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J99.928H
XlogP3-AA:	2.10 (est)
Molecular Weight:	116.20372000
Formula:	C7 H16 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:

Appearance:	colorless clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	172.00 to 174.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.407000 mmHg @ 25.00 °C. (est)
Flash Point:	143.00 °F. TCC ( 61.80 °C. ) (est)
logP (o/w):	2.211 (est)
Soluble in:
	alcohol
	water, 4089 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Description:sweaty

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

4-METHYL-1-HEXANOL 95%

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:
natural substances and extractives
Recommendation for 4-methyl-1-hexanol usage levels up to:
	not for fragrance use.

Recommendation for 4-methyl-1-hexanol 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 :98346

National Institute of Allergy and Infectious Diseases:Data

4-methylhexan-1-ol

Chemidplus:0000818495

References:

Leffingwell:	Chirality or Article
	4-methylhexan-1-ol
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	98346
Pubchem (sid):	135056873
Flavornet:	818-49-5
Pherobase:	View

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
FooDB:	FDB029644
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

	nicotiana suaveolens Search Trop Picture
	nicotiana sylvestris Search Trop Picture
	nicotiana tomentosiformis Search Trop Picture
	tobacco Search Trop Picture
	tobacco aztec tobacco Search Trop Picture
	tobacco jasmin tobacco Search Trop Picture

Synonyms:

	hexan-1-ol, 4-methyl-
1-	hexanol, 4-methyl-
4-	methyl hexan-1-ol
4-	methyl hexanol
4-	methylhexan-1-ol
4-	methylhexanol

Articles:

PubMed:Syntheses of enantiopure aliphatic secondary alcohols and acetates by bioresolution with lipase B from Candida antarctica.

PubMed:Transformation of (±)-lavandulol and (±)-tetrahydrolavandulol by a fungal strain Rhizopus oryzae.

PubMed:Chemical constituents from Aphanamixis grandifolia.

PubMed:Pathway for the biosynthesis of 4-methyl-1-hexanol volatilized from petal tissue of Nicotiana sylvestris.

PubMed:Characterization and synthesis of volatile compounds from the defensive secretions of some "daddy longlets" (Arachnida: Opiliones: Leiobunum spp.).

Notes:

Flavouring compound [Flavornet]

4-methyl-1-hexanol 1-hexanol, 4-methyl-

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Articles:

4-methyl-1-hexanol
1-hexanol, 4-methyl-