Basic information
- CAS
124899-25-8- Standard SMILES
CC1(O)CCC(O)CC1- InChIKey
YXZQSMBYXJWRSP-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
Names & identifiers
- Preferred name
- 1-Methylcyclohexane-1,4-diol
- IUPAC
- 1-methylcyclohexane-1,4-diol
- English name
- 1-methylcyclohexane-1,4-diol
- Molecular formula
- C7H14O2
- Molecular weight
- 130.19
Names & synonyms
1-methylcyclohexane-1,4-diolVI9AMU5JAA1-Methyl-1,4-cyclohexanediol1,4-Cyclohexanediol, 1-methyl-UNII-VI9AMU5JAARefChem:76374821-697-5cis-1-methylcyclohexane-1,4-diol124899-25-8trans-1-Methylcyclohexane-1,4-diol89794-52-5124899-26-9
Show more names
1,4-Cyclohexanediol, 1-methyl-, cis-(1r,4r)-1-methylcyclohexane-1,4-diol(1s,4s)-1-methylcyclohexane-1,4-diolKMA7PV6VZ79AKY4YF27RMFCD29060158MFCD284115271,4-Cyclohexanediol, 1-methyl-, trans-
Database identifiers
- CAS
124899-25-8、124899-26-9、89794-52-5- PubChem CID
- 14449682
- DTXSID
DTXSID901347218- UNII
- 9AKY4YF27R、KMA7PV6VZ7、VI9AMU5JAA
- EC Number
- 182-692-5、821-697-5
- Nikkaji
- J1.518.336E、J1.518.338A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Physicochemical properties
- Boiling point
- 234 · 234.0±8.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 15.06 · 15.06±0.40(Predicted)
- FDA UNII
- 9 AMU5JAA · VI9AMU5JAA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1-Methylcyclohexane-1,4-diol can be used as inhibitors of Raf kinases.
Suppliers26 total
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
石家庄手性化学有限公司031185291771 13832391721 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
安徽敬同药业股份有限公司13675155016 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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