Grundinformationen
- Standard-SMILES
OCc1ccc(O)cc1- InChIKey
BVJSUAQZOZWCKN-UHFFFAOYSA-N- Summenformel
- C7H8O2
- Durchschnittliche Molmasse
- 124,14 g/mol
- Monoisotopische Masse
- 124,0524295
Überblick
P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of benzyl alcohols and a member of phenols.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxybenzyl Alcohol
- IUPAC
- 4-(hydroxymethyl)phenol
- Lokaler Name
- 4-Hydroxybenzylalkohol
- Englischer Name
- 4-Hydroxybenzyl alcohol
- Summenformel
- C7H8O2
- Molmasse
- 124.14
Namen und Synonyme
4-hydroxybenzyl alcohol623-05-24-(Hydroxymethyl)phenolp-Hydroxybenzyl alcoholp-Methylolphenol4-Hydroxybenzenemethanol4-MethylolphenolBenzenemethanol, 4-hydroxy-p-(Hydroxymethyl)phenolGastrodigeninalpha-Hydroxy-p-cresolParahydroxybenzyl Alcohol
Weitere Namen anzeigen
4-hydroxyphenyl Methanolp-HydroxybenzylP-hydroxylbenzyl alcohol4-Hydroxybenzylic Alcohol4-Hydroxybenzyl alcohol, 97% 25GR
DTXSID8073920(4-Hydroxyphenyl)methanol1A3AH1FP1Bhydroxybenzyl alcoholNSC-227926FEMA NO. 3987CHEBI:674104-methylol phenol
Datenbank-Bezeichner
- CAS
623-05-2- PubChem CID
- 125
- DTXSID
DTXSID8073920- ChEMBL
CHEMBL202132- ChEBI
CHEBI:67410- UNII
- 1A3AH1FP1B
- EC Number
- 210-768-0
- Nikkaji
- J6.843H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 75
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
LogP
0.25
0.48
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
6700 mg/L @ 20 °C (exp)
slightly soluble in water; soluble in organic solvents
soluble (in ethanol)
Boiling Point252.00 °C. @ 760.00 mm Hg
Melting Point124.5 °C
Vapor Pressure0.000825 [mmHg]
Physical Description
White to cream crystalline powder; [Alfa Aesar MSDS]
Solid
White crystalline powder; slightly fruity-sweet coconut odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 114 · 114-122 °C(lit.)
- Siedepunkt
- 251 · 251-253°C
- Dichte
- 1.1006 · 1.1006 (rough estimate)
- Brechungsindex
- 1.5035 · 1.5035 (estimate)
- FEMA
- 3987 · 3987 | 4-HYDROXYBENZYL ALCOHOL
- Flammpunkt
- 251 · 251-253°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 6.7 g/l · 6.7g/l soluble
- pka
- 1 · pK1:9.82 (25°C)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Pink to beige
- Geruch (Odor)
- 100 % · at 100.00 %. fruity bitter almond sweet coconut
- Geruchsart
- fruity
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- Soluble in water (6.7 mg/ml at 20°C), dioxane (100 mg/ml), 1N NaOH (50 mg/ml), DMSO, and methanol.
- JECFA Number
- 955 · 955
- BRN
- 1858967 · 1858967
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING
- InChI
- 1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
- InChIKey
- BVJSUAQZOZWCKN-UHFFFAOYSA-N
- SMILES
- OCc1ccc(O)cc1
- LogP
- 0.21 · 0.21
- CAS Datenbank
- 623 · 623-05-2(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenemethanol, 4-hydroxy-(623-05-2)
- EPA chemische Informationen
- 4 · 4-Hydroxybenzenemethanol (623-05-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 12.1% (24 of 198) of reports.
Warning
H315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 198 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanol, 4-hydroxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 19-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27142
Benzenemethanol, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes other degenerative changes to brain and effects on other enzymes in acute intraperitoneal studies of mice; Human dermal administration causes allergic dermatitis and cutaneous sensitization in 2-day studies; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (27.3%)
Toxikologische Informationen
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Sicherheitsdaten
- F
- 8-9-23
- wgk
- 3
- hs_code
- 29072900
- RTECS-Nr.
- DA4796800
- risk_code
- 36-36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold/Air Sensitive/Light Sensitive
- safety_code
- 26-24/25-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites4-Hydroxybenzyl alcohol is a known human metabolite of 4-Methylphenol.
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anwendungen
OccurrenceReportedly found in vanilla, Bourbon (Vanilla plantifolia Andrew
Verwenden4-Hydroxybenzyl alcohol is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Darstellung
synthetischePrepared from p-cresol by using the microorganism, Pseudomonas putida.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海速博化学科技有限公司21-54820552 17702105771
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州市淇奥化工有限公司0519-85607258
南京欣丰康生物科技有限公司025-84683399 13952017251 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
安徽德信佳生物医药有限公司0531-82375818 15064153060 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海卓锐化工有限公司021-69180038
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海泽信化工科技有限公司021-60136491 15901897992
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of phenols and a member of benzyl alcohols.
Zugehörige Reaktionen
210
Verknüpfte Notizen
Wird geladen…