6-Amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Basic information
- CAS
8050-07-5- Standard SMILES
NC1C=C(CO)C(O)C(O)C1O- InChIKey
XPHOBMULWMGEBA-VZFHVOOUSA-N- Molecular formula
- C7H13NO4
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.0844579
Overview
See also: Frankincense (annotation moved to); Gum olibanum (annotation moved to); Olibanum, gum, resin (boswellia spp.) (annotation moved to).
Names & identifiers
- Preferred name
- 6-Amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
- IUPAC
- 6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
- English name
- OLIBANUM GUM
- Molecular formula
- C7H13NO4
- Molecular weight
- 175.18242
Names & synonyms
6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol8050-07-5SCHEMBL352747XPHOBMULWMGEBA-UHFFFAOYSA-NSB47811DB-017909FRANKINCENSEBOSWELLIA CARTERII OILfrankincense resinoidOLBANUMGUMGUM INCENSEOLIBANUM GUM
Show more names
Einecs 232-474-1frankincense gumBoswellia carteriOLIBANUMOILRESINOID
Database identifiers
- CAS
8050-07-5- PubChem CID
- 4197136
- EC Number
- 232-474-1
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Density
- 0.862 · 0.862-0.889
- color
- Paleliquid
- Odor
- pleasant balsamic odor
- Odor Type
- woody
- Cosmetics Ingredients Functions
- SMOOTHINGSKIN CONDITIONINGTONICFRAGRANCE
- Substances Added to Food (formerly EAFUS)
- OLIBANUM, GUM, RESIN (BOSWELLIA SPP.)
- FDA UNII
- 9 XLF1R1WM · R9XLF1R1WM
- EPA Substance Registry System
- Olibanum (8050-07-5)
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 226 · H226-H410-H304-H315-H317
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Toxicity
- 500 mg/24H · skn-rbt 500 mg/24H MOD FCTXAV 16,837,78
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (97.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1524 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Olibanum
Hazard Classes and CategoriesFlam. Liq. 3 (97.2%)
Safety data
- Toxicity
- skn-rbt 500 mg/24H MOD FCTXAV 16,837,78
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS08,GHS09
- Hazard statements
- H226-H410-H304-H315-H317
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesOLIBANUM GUM is a pale yellow to yellowish-green transparent bead-like solid. It is soluble in ethanol, chloroform, and ether; sparingly soluble in turpentine; and insoluble in water. It is used in the manufacture of varnishes, chewing gum flavorings, and pharmaceuticals.
DescriptionOlibanum gum is yellowish to yellow-green transparent beaded solid. Soluble in ethanol, chloroform and ether; insoluble in turpentine; insoluble in water. Used in the system of varnish, chewing gum flavor, medicine, etc.
Upstream & downstream products
Downstream products
Additional notes
DefinitionExtracts and their physically modified derivatives. It is a product which may contain resin acids and their esters, terpenes, and oxidation or polymerization products of these terpenes.
Suppliers
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Related reactions
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Compound notes
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