4-Methoxybenzyl alcohol
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Basic information
- CAS
105-13-5- Standard SMILES
COc1ccc(CO)cc1- InChIKey
MSHFRERJPWKJFX-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Names & identifiers
- Preferred name
- 4-Methoxybenzyl alcohol
- IUPAC
- (4-methoxyphenyl)methanol
- English name
- 4-Methoxybenzyl alcohol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
4-METHOXYBENZYL ALCOHOL105-13-5(4-Methoxyphenyl)methanolAnise alcoholAnisyl alcoholp-Methoxybenzyl alcoholBenzenemethanol, 4-methoxy-4-MethoxybenzenemethanolBenzyl alcohol, p-methoxy-FEMA No. 2099DTXSID60443577N6XGV3U49
Show more names
PMBOHFEMA 2099P-ANISIC ALCOHOLANISALKOHOLMETHOXYBENZYL ALCOHOL
NSC-2151para-methoxybenzyl alcoholDTXCID4024357RefChem:558133203-273-6NT090XT6TEp-Anisyl alcoholAnisic alcohol
Database identifiers
- CAS
105-13-5、1331-81-3- PubChem CID
- 7738
- DTXSID
DTXSID6044357- ChEMBL
CHEMBL294431- ChEBI
CHEBI:193647- UNII
- 7N6XGV3U49
- EC Number
- 203-273-6
- Nikkaji
- J4.028B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
LogP1.10
Density
1.107-1.115
1.108 @25 °C
Solubility
2 mg/mL at 20 °C
insoluble in water; poorly soluble in glycols, glycerol; soluble in organic solvents, oils
miscible above 20� (in ethanol)
Boiling Point
259.00 to 260.00 °C. @ 760.00 mm Hg
259 °C
259.1 °C @760 [mm Hg]
Melting Point
24 - 25 °C
25 °C
Vapor Pressure0.0038 [mmHg]
Refractive Index1.540-1.547
Physical Description
Liquid
Liquid; mp = 24-25 deg C; [Merck Index] White liquid or low-melting solid; mp = 22-25 deg C; [Alfa Aesar MSDS]
Solid
colourless to slightly yellow liquid or opaque crystalline mass with a mild, sweet, floral odour
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
H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (95.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (91.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2001 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, 4-methoxy-
Hazard Traits - Fragrance Allergen；Authoritative List - Annex III of the EU Cosmetics Regulation No. 1223/2009 - Fragrance Allergens；Report - if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenemethanol, 4-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, 4-methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 03-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16802；Status: Active Update: 25-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12125
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA] Used to make perfumes, fragrances, fine chemicals, pharmaceuticals, photo-chemicals, cosmetics, and personal care products; [ECHA REACH Registrations]
U.S. Production2023: 14,881 lb；2022: 4,960 lb；2021: 3,968 lb；2020: 67,956 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
IFRA Fragrance Standards
Anisyl alcohol
Anisalcohol; Anise alcohol; Anisic alcohol; Benzyl alcohol, p-methoxy; p-Methoxybenzyl alcohol
IFRA_STD_006.pdf
49
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
Household Products
Cosmetics product ingredient: 4-Methoxybenzyl alcohol (ANISE ALCOHOL)；Anise alcohol is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223/2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million).；For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:；https://www.cdph.ca.gov/Programs/CCDPHP/DEODC/OHB/CSCP/Pages/FragranceAllergens.aspx；Product count: 1313
Related reactions
323 records
Compound notes
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