isosclerone, 54712-38-8

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CODE162041 CODE162041
Product(s):
54712-38-8 isoSclerone

Name:	4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
CAS Number:	54712-38-8	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J607.516I
XlogP3-AA:	1.10 (est)
Molecular Weight:	178.18730000
Formula:	C10 H10 O3
BioActivity Summary:	listing
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:	376.20 °C. @ 760.00 mm Hg (est)
Flash Point:	384.00 °F. TCC ( 195.50 °C. ) (est)
logP (o/w):	1.330 (est)
Soluble in:
	water, 4.785e+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.

isoSclerone

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 isosclerone usage levels up to:
	not for fragrance use.

Recommendation for isosclerone 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 :10442251

National Institute of Allergy and Infectious Diseases:Data

4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one

References:

	4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	10442251
Pubchem (sid):	40569900

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
CHEMBL:	View
HMDB (The Human Metabolome Database):	HMDB38712
FooDB:	FDB018120
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

walnut english walnut
Search Trop Picture

Synonyms:

(4S)-3,4-	dihydro-4,8-dihydroxy-1(2H)-naphthalenone
4,8-	dihydroxy-3,4-dihydro-1(2H)-naphthalenone
4,8-	dihydroxy-3,4-dihydro-2H-naphthalen-1-one
4,8-	dihydroxy-3,4-dihydronaphthalen-1(2H)-one
1(2H)-	naphthalenone, 3,4-dihydro-4,8-dihydroxy-
	regiolone
iso-	sclerone

Articles:

PubMed:Anti-proliferative and apoptotic activities of constituents of chloroform extract of Juglans regia leaves.

PubMed:Isolation, structure elucidation and total synthesis of lajollamide A from the marine fungus Asteromyces cruciatus.

PubMed:Metabolites from the mangrove-derived fungus Xylaria cubensis PSU-MA34.

PubMed:Effects of walnut husk washing waters and their phenolic constituents on horticultural species.

PubMed:Botrytone, a new naphthalenone pentaketide produced by Botrytis fabae, the causal agent of chocolate spot disease on Vicia faba.

PubMed:Simultaneous determination of three diarylheptanoids and an alpha-tetralone derivative in the green walnut husks (Juglans regia L.) by high-performance liquid chromatography with photodiode array detector.

PubMed:Affinities of Phylacia and the daldinoid Xylariaceae, inferred from chemotypes of cultures and ribosomal DNA sequences.

PubMed:Ophiocerins A-D and ophioceric acid: tetrahydropyran derivatives and an africane sesquiterpenoid from the freshwater aquatic fungus Ophioceras venezuelense.

PubMed:Bioactive natural products from a sclerotium-colonizing isolate of Humicola fuscoatra.

PubMed:Immunosuppressive components from an Ascomycete, Diplogelasinospora grovesii.

Notes:

Constit. of Juglans regia (walnut)

isosclerone 1(2H)-naphthalenone, 3,4-dihydro-4,8-dihydroxy-

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Articles:

isosclerone
1(2H)-naphthalenone, 3,4-dihydro-4,8-dihydroxy-