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4-Thujanol

CAS 546-79-2C10H18OMW 154.14 g/mol

4-Thujanol (CAS 546-79-2) — formula C10H18O, molecular weight 154.14 g/mol.

Product Overview

CAS Number546-79-2
Molecular FormulaC10H18O
Molecular Weight154.14 g/mol
Boiling Pointtrans 193-196 °C; cis 195-200 °C
LogP2.1

Technical Profile

What this product is

4-Thujanol is a chemical compound with CAS registry number 546-79-2 and molecular formula C10H18O (molecular weight 154.14 g/mol).

Identification

CAS number: 546-79-2

Its molecular formula C10H18O comprises 10 C, 18 H, 1 O atoms.

Also known as: 4-Thujanol · 水合桧烯

Frequently Asked Questions

What is the CAS number of 4-Thujanol?

The CAS registry number of 4-Thujanol is 546-79-2.

What is the molecular formula and molecular weight of 4-Thujanol?

Molecular formula C10H18O, molecular weight 154.14 g/mol.

What other names is 4-Thujanol known by?

It is also registered under: 4-Thujanol, 水合桧烯.

PubChem Public Data

Independent reference data for 4-Thujanol (CAS 546-79-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number546-79-2
PubChem CID62367
Molecular formulaC10H18O
Molecular weight154.14 g/mol
IUPAC name2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
InChIKeyKXSDPILWMGFJMM-UHFFFAOYSA-N
UNII (FDA)NS00013239
ChEBI IDCHEBI:16377
FEMA number3239
JECFA number441

Computed descriptors

Molecular Weight154.25
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area20.2
Heavy Atom Count11

Physicochemical values on record

Boiling Pointtrans 193-196 °C; cis 195-200 °C
Refractive Indextrans, 1.443 (60 °C); cis, 1.449 (60 °C)

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    Sabinenehydrate; 2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol; 2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol; RefChem:910064; 208-911-7; Sabinene hydrate; 546-79-2; 4-Thujanol; 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol; 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol; (Z)-Sabinene hydrate; FEMA No. 3239; Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-; Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-; cis-Sabinene hydrate; 4-Thujanol (natural)

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Mint, Cool
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary78.3% (90 / 115)

    GHS hazard classification

    GHS notification summary78.3% (90 / 115)
    Reported hazard statementsH226 (21.7%)

    This chemical does not meet GHS hazard criteria for 78.3% (90 of 115) of all reports.

    H226 (21.7%): Flammable liquid and vapor [Warning Flammable liquids]

    What the public record says

    4-Thujanol is identified by CAS 546-79-2, molecular formula C10H18O and molecular weight 154.14 g/mol. UNII NS00013239; ChEBI 16377; InChIKey KXSDPILWMGFJMM-UHFFFAOYSA-N. Boiling Point: trans 193-196 °C; cis 195-200 °C; Refractive Index: trans, 1.443 (60 °C); cis, 1.449 (60 °C).

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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