4-Thujanol (CAS 546-79-2) — formula C10H18O, molecular weight 154.14 g/mol; category food flavors.
4-Thujanol (CAS 546-79-2) is a food flavors. Its molecular formula C10H18O comprises 10 C, 18 H, 1 O atoms. Its molecular weight is about 154.14 g/mol. Reported physicochemical data: boiling point around trans 193-196 °C; cis 195-200 °C, LogP about 2.1. Flavors are used to provide or enhance aroma in food and beverages, and must comply with food flavoring regulations. Widely used in beverages, confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 546-79-2 |
|---|---|
| Molecular Formula | C10H18O |
| Molecular Weight | 154.14 g/mol |
| Boiling Point | trans 193-196 °C; cis 195-200 °C |
| LogP | 2.1 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Flavors |
Documented applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
4-Thujanol is a flavoring compound with CAS registry number 546-79-2 and molecular formula C10H18O (molecular weight 154.14 g/mol), belonging to the food flavors segment of chemical raw materials.
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
Category: food flavors
The CAS registry number of 4-Thujanol is 546-79-2.
Molecular formula C10H18O, molecular weight 154.14 g/mol.
It is also registered under: 4-Thujanol, 水合桧烯.
Recorded applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 4-Thujanol (CAS 546-79-2), compiled from public chemistry databases.
| CAS Registry Number | 546-79-2 |
|---|---|
| PubChem CID | 62367 |
| Molecular formula | C10H18O |
| Molecular weight | 154.14 g/mol |
| IUPAC name | 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol |
| InChIKey | KXSDPILWMGFJMM-UHFFFAOYSA-N |
| UNII (FDA) | NS00013239 |
| ChEBI ID | CHEBI:16377 |
| FEMA number | 3239 |
| JECFA number | 441 |
| Molecular Weight | 154.25 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.135765193 |
| Monoisotopic Mass | 154.135765193 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 11 |
| Boiling Point | trans 193-196 °C; cis 195-200 °C |
|---|---|
| Refractive Index | trans, 1.443 (60 °C); cis, 1.449 (60 °C) |
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 & Food Contact | EU 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 summary | 78.3% (90 / 115) |
| GHS notification summary | 78.3% (90 / 115) |
|---|---|
| Reported hazard statements | H226 (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]
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).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 水合桧烯