Basic information
- Standard SMILES
OCc1ccccc1CO- InChIKey
XMUZQOKACOLCSS-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,2-Benzenedimethanol
- IUPAC
- [2-(hydroxymethyl)phenyl]methanol
- English name
- 1,2-Benzenedimethanol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
1,2-Benzenedimethanol612-14-61,2-Bis(hydroxymethyl)benzeneNSC-403013M3SLJ97BU6DTXSID4060604RefChem:71667DTXCID3042976210-293-91,2-phenylenedimethanolPhthalyl alcohol[2-(hydroxymethyl)phenyl]methanol
Show more names
α,α'-o-Xylenediolo-xylene-à,à'-diolO-BENZENEDIMETHANOLRARECHEM AL BD 0044O-XYLYLENE DIALCOHOL1,2-Diphenylmethanol
o-Xylene-alpha,alpha'-diolMFCD00004626o-Xylylene GlycolAluminacyclohexanealpha,alpha'-Dihydroxy-o-xyleneNSC 4030132-Hydroxymethylbenzenemethanol6680-73-5
Database identifiers
- CAS
612-14-6- PubChem CID
- 69153
- DTXSID
DTXSID4060604- UNII
- M3SLJ97BU6
- EC Number
- 210-293-9
- Nikkaji
- J134.736E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.3
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 63 · 63-65 °C(lit.)
- Boiling point
- 145 °C · 145 °C / 3mmHg
- Density
- 1.0742 · 1.0742 (rough estimate)
- refractive index
- 1.559 · 1.5590 (estimate)
- Flash point
- 145 ° · 145°
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 158 g/l · 158g/l
- pka
- 13.96 · 13.96±0.10(Predicted)
- form
- Powder
- color
- White to light yellow
- Water Solubility
- Soluble in water, ether, ethanol, benzene.
- BRN
- 508775 · 508775
- InChI
- InChI=1S/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2
- InChIKey
- XMUZQOKACOLCSS-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=CC=C1CO
- CAS DataBase Reference
- 612 · 612-14-6(CAS DataBase Reference)
- FDA UNII
- 3 SLJ97BU6 · M3SLJ97BU6
- NIST Chemistry Reference
- 1 · 1,2-Benzenedimethanol(612-14-6)
- EPA Substance Registry System
- 1 · 1,2-Benzenedimethanol (612-14-6)
- UNSPSC Code
- 12352104 · 12352104
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/22
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29062900 · 29062900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,2-Benzenedimethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29062900
- risk_code
- 20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1,2-Benzenedimethanol: INACTIVE
Applications
Uses1,2-Benzenedimethanol is a raw material used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
上海利卡斯实业有限公司19821976800 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [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]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海尚饮思生化医药有限公司021-021-57872719 13761402923 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [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]
艾科试剂4008-755-333 18080918076 · [email protected]
潍坊鼎弘医药科技有限公司18663683121 · [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]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
天津安浩生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [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
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
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