Basic information
- CAS
1444-64-0- Standard SMILES
OC1CCCCC1c1ccccc1- InChIKey
AAIBYZBZXNWTPP-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 2-Phenylcyclohexanol
- IUPAC
- 2-phenylcyclohexan-1-ol
- English name
- 2-PHENYLCYCLOHEXANOL
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
2-PHENYLCYCLOHEXANOL1444-64-0Cyclohexanol, 2-phenyl-Insect repellent 448ESNNDTXSID40414462-phenyl-1-cyclohexanol8CR64Q4RW2DTXCID2021446NSC-1870RefChem:89064215-887-1
Show more names
CIS-2-PHENYL-1-CYCLOHEXANOLinsectrepellent4482-phenyl-cyclohexano
2-phenylcyclohexan-1-ol2-Fenylcyklohexanol2-Phenyl cyclohexanolMFCD00064945Caswell No. 6542-Fenylcyklohexanol [Czech]trans-2-Phenyl-cyclohexanolEINECS 215-887-1
Database identifiers
- CAS
1444-64-0、16201-63-1- PubChem CID
- 15046
- DTXSID
DTXSID4041446- ChEMBL
CHEMBL3183424- EC Number
- 215-887-1
- Nikkaji
- J7.490J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionLiquid; [Chem Service MSDS]
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 278.5 °C · 278.5°C (estimate)
- Density
- 1.033 · 1.0330
- refractive index
- 1.5091 · 1.5091 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 15.05 · 15.05±0.40(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 8 CR64Q4RW2 · 8CR64Q4RW2
- EPA Substance Registry System
- 2 · 2-Phenylcyclohexanol (1444-64-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H412
- Precautionary statements
- 264 · P264-P273-P280-P305+P351+P338-P337+P313-P501
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryCauses allergic dermatitis in oral lethal-dose studies of rats (LD50 = 3.5 mL/kg); Dermal LD50 (rat) = 10 mL/kg; [RTECS] A skin irritant; [Chem Service MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H412
- Precautionary statements
- P264-P273-P280-P305+P351+P338-P337+P313-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers38 total
西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Hubei Lidu New Material Technology Co., Ltd+86-19307248857 +86-19307248857 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海平创化工科技有限公司15001988657 15802146997 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
湖北丽都新材料科技有限公司19307245857 · [email protected]
长沙晶康新材料科技有限公司0731-85118349 18874718518 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
武汉市罗氏科技发展有限公司19171595131 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
江苏希林生物医药有限公司025-66042949 15161141411 · [email protected]
上海丝帆医药科技有限公司18916696128 · [email protected]
上海化鑫微医药科技有限公司18019176997 18019176997 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
湖北丽都新材料科技有限公司19307246857 19307246857 · [email protected]
湖北朗博万生物医药有限公司18086032675 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
6 records
Compound notes
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