isocalamendiol

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1,4a(2H)-naphthalenediol, octahydro-1-methyl-6-methylene-4-(1-methylethyl)-, (1R,4S,4aR)-

CAS: 25330-21-6 C15 H26 O2 MW: 238.37062000

Identification

Nameisocalamendiol
IUPAC(1R,4S,4aR)-1-methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-diol
CAS Number25330-21-6
FDA UNIISearch
Molecular FormulaC15 H26 O2
Molecular Weight238.37062000

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 342.00 to 343.00 °C. @ 760.00 mm Hg (est)
Flash Point 308.00 °F. TCC ( 153.30 °C. ) (est)
logP (o/w) 3.145 (est)
Soluble in water, 17.1 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

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

Safety in Use

Categorynatural substances and extractives
Recommendation for isocalamendiol usage levels up tonot for fragrance use.
Recommendation for isocalamendiol flavor usage levels up tonot for flavor use.

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25330-21-6 isoCalamendiol
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Potential Uses

None Found

Natural Occurrence

calamus calamus leaf oil @ 0.58% Data calamus rhizome oil @ 8.37% Data carrot

Synonyms

(1R,4S,4aR)-1- methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-diol 1,4a(2H)- naphthalenediol, octahydro-1-methyl-6-methylene-4-(1-methylethyl)-, (1R,4S,4aR)- (1R,4S,4aR)-4-iso propyl-1-methyl-6-methyleneoctahydro-1,4a(2H)-naphthalenediol PubMed: The effects of Zibu Piyin Recipe components on scopolamine-induced learning and memory impairment in the mouse. PubMed: Chemical composition of the essential oil and supercritical CO2 extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L. PubMed: [Studies on the constituents of the roots of Acorus calamus L]. PubMed: Isolation and structure of isocalamendiol.