4-苯基-3-丁烯-2-醇

Description

4-Phenyl-3-buten-2-ol is identified by CAS 36004-04-3, molecular formula C10H12O and molecular weight 148.09 g/mol. UNII X6586VX5Q9; ChEBI 190782; InChIKey ZIJWGEHOVHJHKB-BQYQJAHWSA-N. Boiling Point: 140 °C (12 mm Hg); Density: 1.006-1.012; Refractive Index: 1.558-1.567.

Identification

CAS Registry Number	36004-04-3
PubChem CID	5369489
Molecular formula	C10H12O
Molecular weight	148.09 g/mol
IUPAC name	(E)-4-phenylbut-3-en-2-ol
InChIKey	ZIJWGEHOVHJHKB-BQYQJAHWSA-N
UNII (FDA)	X6586VX5Q9
ChEBI ID	CHEBI:190782
FEMA number	2880
JECFA number	819

Computed Descriptors

Molecular Weight	148.20
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	148.088815002
Monoisotopic Mass	148.088815002
Topological Polar Surface Area	20.2
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	140 °C (12 mm Hg)
Density	1.006-1.012
Refractive Index	1.558-1.567

Physical description & handling notes

• colourless slightly viscous liquid with a sweet, mild, fruity, floral, balsamic odour
• insoluble in water; soluble in organic solvents, oils
• miscible at room temperature (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 909-JECFA 57/61
GHS notification summary	100% (89 / 89)

GHS Hazard Classification

GHS notification summary	100% (89 / 89)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 3-Buten-2-ol, 4-phenyl-; 4-Phenylbut-3-en-2-ol; Methyl styryl carbinol
• IFRA 51st Amendment - Guidance for the use of IFRA Standards
• Restriction: This material should be used only in the limited quantity as stated in the Standard
• Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

Synonyms

36004-04-3; (3E)-4-Phenyl-3-buten-2-ol; (E)-4-Phenyl-3-buten-2-ol; 3-Buten-2-ol, 4-phenyl-, (E)-; trans-4-Phenyl-3-buten-2-ol; FEMA No. 2880, E-; trans-3-Hydroxy-1-phenyl-1-butene; 4-Phenyl-3-buten-2-ol, (3E)-; UNII-X6586VX5Q9; 3-Buten-2-ol, 4-phenyl-, (3E)-; X6586VX5Q9; RefChem:198767; (E)-4-phenylbut-3-en-2-ol; 4-Phenyl-3-buten-2-ol; 17488-65-2; Methyl styryl carbinol

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Phenyl-3-buten-2-ol?

CAS 36004-04-3; molecular formula C10H12O; molecular weight 148.09 g/mol.

What other names is 4-Phenyl-3-buten-2-ol known by?

36004-04-3, (3E)-4-Phenyl-3-buten-2-ol, (E)-4-Phenyl-3-buten-2-ol, 3-Buten-2-ol, 4-phenyl-, (E)-, trans-4-Phenyl-3-buten-2-ol, FEMA No. 2880, E-.

What is the regulatory status of 4-Phenyl-3-buten-2-ol?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is 4-Phenyl-3-buten-2-ol classified as hazardous?

100% of GHS notifications report no hazard classification (89 of 89).

What are the key physical properties of 4-Phenyl-3-buten-2-ol?

Boiling Point: 140 °C (12 mm Hg); Density: 1.006-1.012; Refractive Index: 1.558-1.567.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.