Basic information
- Standard SMILES
OCc1cccc(O)c1- InChIKey
OKVJCVWFVRATSG-UHFFFAOYSA-N- Molecular formula
- C7H8O2
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.0524295
Overview
3-hydroxybenzyl alcohol is a hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. It has a role as a metabolite. It is a hydroxybenzyl alcohol and a member of phenols.
Names & identifiers
- Preferred name
- 3-Hydroxybenzyl alcohol
- IUPAC
- 3-(hydroxymethyl)phenol
- English name
- 3-Hydroxybenzyl alcohol
- Molecular formula
- C7H8O2
- Molecular weight
- 124.14
Names & synonyms
3-hydroxybenzyl alcohol620-24-63-(Hydroxymethyl)phenol3-HydroxybenzenemethanolBenzenemethanol, 3-hydroxy-m-Hydroxybenzyl alcoholBenzyl alcohol, m-hydroxy-H652F6XF7YCHEBI:17069DTXSID20211035NSC-607353-methylol phenol
Show more names
Metaraminol Impurity 3KDS 24053-MethylolphenlRARECHEM AL BD 00673-Hydrosybenzyl Alcohol
meta-hydroxybenzyl alcoholRefChem:502532DTXCID20133526210-633-6KSD 24053-methylolphenolMFCD000046433-Hydroxybenzylalcohol
Database identifiers
- CAS
620-24-6- PubChem CID
- 102
- DTXSID
DTXSID20211035- ChEMBL
CHEMBL3337531- ChEBI
CHEBI:17069- UNII
- H652F6XF7Y
- EC Number
- 210-633-6
- Nikkaji
- J1.672A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Experimental & physicochemical properties
LogP0.5
Physical DescriptionSolid
Collision Cross Section
122.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
123 Ų [M-H]-
Physicochemical properties
- Melting point
- 69 · 69-72 °C (lit.)
- Boiling point
- 300 °C · 300°C
- Density
- 1 · 1,16 g/cm3
- refractive index
- 1.5035 · 1.5035 (estimate)
- Flash point
- 300 °C · 300°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 1 · pK1:9.83 (25°C)
- form
- Crystalline Powder
- color
- Pink or beige to brown
- Water Solubility
- soluble
- BRN
- 2041500 · 2041500
- InChI
- 1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
- InChIKey
- OKVJCVWFVRATSG-UHFFFAOYSA-N
- SMILES
- OCc1cccc(O)c1
- LogP
- 0.49 · 0.490
- CAS DataBase Reference
- 620 · 620-24-6(CAS DataBase Reference)
- FDA UNII
- 652 F6XF7Y · H652F6XF7Y
- NIST Chemistry Reference
- 3 · Benzenemethanol, 3-hydroxy-(620-24-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-41
- Safety Statements
- 26 · 26-36/39
- WGK Germany
- 3 · 3
- RTECS
- 4796700 · DA4796700
- HS Code
- 29072900 · 29072900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DA4796700
- hs_code
- 29072900
- risk_code
- 36/37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses3-Hydroxybenzyl alcohol is used as an intermediate to produce other chemicals like 3-Oxy-1'-acetoxy-1-methyl-benzol.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
苏州莱克施德药业有限公司0512-63970158-603 18018108880 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [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]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海丰臣化工有限公司+86 (21) 13764690794 657056093 · [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]
上海遐瑞医药科技有限公司+86 21 61551611
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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
Additional notes
DefinitionChEBI: A hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group.
Related reactions
157 records
Linked notes
Loading…