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2-Propylphenol

CAS 644-35-9C9H12OMW 136.19Featured

2-Propylphenol (CAS 644-35-9) — formula C9H12O, molecular weight 136.19.

Product Overview

CAS Number644-35-9
Molecular FormulaC9H12O
Molecular Weight136.19
Melting Point7 °C
Boiling Point224.00 to 226.00 °C. @ 760.00 mm Hg
LogP2.93
ApplicationsFragrance Ingredients

Applications

Documented applications: Fragrance Ingredients.

Technical Profile

What this product is

2-Propylphenol is a chemical compound with CAS registry number 644-35-9 and molecular formula C9H12O (molecular weight 136.19).

Identification

CAS number: 644-35-9

Its molecular formula C9H12O comprises 9 C, 12 H, 1 O atoms.

Also known as: 2-Propylphenol · 2-正丙基苯酚

Frequently Asked Questions

What is the CAS number of 2-Propylphenol?

The CAS registry number of 2-Propylphenol is 644-35-9.

What is the molecular formula and molecular weight of 2-Propylphenol?

Molecular formula C9H12O, molecular weight 136.19.

What other names is 2-Propylphenol known by?

It is also registered under: 2-Propylphenol, 2-正丙基苯酚.

What are the documented applications of 2-Propylphenol?

Recorded applications: Fragrance Ingredients.

PubChem Public Data

Independent reference data for 2-Propylphenol (CAS 644-35-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number644-35-9
PubChem CID12570
Molecular formulaC9H12O
Molecular weight136.09 g/mol
IUPAC name2-propylphenol
InChIKeyLCHYEKKJCUJAKN-UHFFFAOYSA-N
UNII (FDA)333R6F6T3N
ChEBI IDCHEBI:147331
FEMA number3522
JECFA number695

Computed descriptors

Molecular Weight136.19
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass136.088815002
Monoisotopic Mass136.088815002
Topological Polar Surface Area20.2
Heavy Atom Count10

Physicochemical values on record

Boiling Point224.00 to 226.00 °C. @ 760.00 mm Hg
Boiling Point224 °C
Melting Point7 °C
Density0.988-0.996
LogP2.93
Refractive Index1.524-1.528

Documented uses on record

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index

Synonyms and trade names

2-PROPYLPHENOL; 2-n-Propylphenol; 644-35-9; o-Propylphenol; Phenol, 2-propyl-; Phenol, o-propyl-; 1-Hydroxy-2-n-propylbenzene; 1-(2-Hydroxyphenyl)propane; FEMA No. 3522; DTXSID9047702; NSC-65646; 333R6F6T3N; DTXCID7027700; CHEBI:147331; RefChem:89328; 211-415-3

Regulatory listings held on file

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
No safety concern at current levels of intake when used as a flavouring agent

GHS hazard classification

Reported hazard statementsH302 (100%), H312 (22.1%), H315 (16.3%), H319 (16.3%), H332 (16.3%), H335 (16.3%)

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H312 (22.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]

What the public record says

o-Propylphenol is identified by CAS 644-35-9, molecular formula C9H12O and molecular weight 136.09 g/mol. UNII 333R6F6T3N; ChEBI 147331; InChIKey LCHYEKKJCUJAKN-UHFFFAOYSA-N. Boiling Point: 224.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 224 °C; Melting Point: 7 °C.

Physical description and handling notes

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

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 2-正丙基苯酚

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