(+)-isothujone

(+)-3-thujone

CAS: 471-15-8 C10 H16 O MW: 152.23672000

Identification

Name	(+)-isothujone
IUPAC	(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CAS Number	471-15-8
FDA UNII	8ZI5R3T54Q
Molecular Formula	C10 H16 O
Molecular Weight	152.23672000
Nikkaji Number	J22.151A

Regulatory

Physical Properties

Assay	95.00 to 100.00
Food Chemicals Codex Listed	No
Soluble in	water, 407.7 mg/L @ 25 °C (est)

Organoleptic Properties

Odor Description

herbal warm

Safety Information

Oral/Parenteral Toxicity	Not determined
Dermal Toxicity	Not determined
Inhalation Toxicity	Not determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Category	natural substances and extractives
IFRA Critical Effect	Neurotoxicity
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%)	Category 1: Products applied to the lips
Notes	IFRA FLAVOR REQUIREMENTS:
Recommendation for (+)-isothujone flavor usage levels up to	not for flavor use.

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471-15-8 THUJONE

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Potential Uses

None Found

Natural Occurrence

basil plant ginger rhizome oil hyssop shoot oregano shoot peppermint oil rosemary leaf rosemary shoot sage leaf sage leaf oil sage oil salvia pomifera savory winter savory plant tanacetum argyrophyllum var.argyrophyllum

Synonyms

(1S-(1-alpha,4-beta,5-alpha))-4- methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-one (1S,4S,5R)-4- methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (1S,4S,5R)-(+)-3- thujanone (+)- thujone (+)-3- thujone (+)-beta- thujone D-iso thujone dextro- thujone dextro-iso thujone PubMed: Essential oils produced by in vitro shoots of sage (Salvia officinalis L.). PubMed: Monoterpene synthases from common sage (Salvia officinalis). cDNA isolation, characterization, and functional expression of (+)-sabinene synthase, 1,8-cineole synthase, and (+)-bornyl diphosphate synthase. PubMed: Metabolism of monoterpenes: specificity of the dehydrogenases responsible for the biosynthesis of camphor, 3-thujone, and 3-isothujone. PubMed: Insect feeding and oviposition deterrents from western red cedar foliage. PubMed: (-)-3-Isothujone, a small nonnitrogenous molecule with antinociceptive activity in mice.