p-アニシルアルコール
4-Methoxybenzyl alcohol
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基本情報
- CAS
105-13-5- 標準SMILES
COc1ccc(CO)cc1- InChIKey
MSHFRERJPWKJFX-UHFFFAOYSA-N- 分子式
- C8H10O2
- 平均分子量
- 138.16 g/mol
- 単同位体質量
- 138.06807956
名称と識別子
- 優先名称
- 4-Methoxybenzyl alcohol
- IUPAC
- (4-methoxyphenyl)methanol
- 現地名
- p-アニシルアルコール
- 英語名
- 4-Methoxybenzyl alcohol
- 分子式
- C8H10O2
- 分子量
- 138.16
名称と別名
4-METHOXYBENZYL ALCOHOL105-13-5(4-Methoxyphenyl)methanolAnise alcoholAnisyl alcoholp-Methoxybenzyl alcoholBenzenemethanol, 4-methoxy-4-MethoxybenzenemethanolBenzyl alcohol, p-methoxy-FEMA No. 2099DTXSID60443577N6XGV3U49
名称をさらに表示
4-メトキシベンジルアルコールp-メトキシベンジルアルコール(4-メトキシフェニル)メタノール4-アニシルアルコール4-メトキシベンゼンメタノールアニシルアルコールアニスアルコールp-アニソールアルコール1-メトキシ-4-(ヒドロキシメチル)ベンゼン4-メトキシベンゼン-1-メタノール4-メトキシフェニルメタノールpメトキシベンジルアルコールP-アニスアルコールアニシルアルコール(アニスアルコール)P‐アニシルアルコール4-アニスアルコールアニシルアルコール, 1000 µg/mL in Ethanolp-アニシルアルコールアニシルアルコール標準品メトキシベンジル-4 アルコール標準品PMBOHFEMA 2099P-ANISIC ALCOHOLANISALKOHOLMETHOXYBENZYL ALCOHOL
NSC-2151para-methoxybenzyl alcoholDTXCID4024357RefChem:558133203-273-6NT090XT6TEp-Anisyl alcoholAnisic alcohol
データベース識別子
- 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
物性
構造計算による物性補完中
- XLogP
- 1.1
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 85
実験および物理化学的性質
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
Kovats Retention Index
1246.8；1270；1242；1242；1244；1244；1267；1249；1267
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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
4-Methoxybenzyl alcohol: Does not have an individual approval but may be used under an appropriate group standard
化学と産業
薬理情報
Cellular LocationsCytoplasm；Extracellular
用途と製造
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
Information on 44 consumer products that contain Anisyl alcohol in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home；• Personal Care
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