Basic information
- CAS
4415-73-0- Standard SMILES
OCC1(CO)CCC1- InChIKey
AEBIBBWVNCPTNL-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- Cyclobutane-1,1-diyldimethanol
- IUPAC
- [1-(hydroxymethyl)cyclobutyl]methanol
- English name
- Cyclobutane-1,1-diyldimethanol
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
cyclobutane-1,1-diyldimethanolRefChem:580221803-837-74415-73-01,1-Cyclobutanedimethanol[1-(hydroxymethyl)cyclobutyl]methanol1,1-BIS(HYDROXYMETHYL)CYCLOBUTANEMFCD004637061,1-CyclobutanediyldimethanolSCHEMBL234016DTXSID30403722(1-hydroxymethyl
Show more names
1,1-Cyclobutanedimethanol - C6242[(hydroxymethyl)cyclobutyl]methanol
SCHEMBL2152675SCHEMBL8050269(Cyclobutane-1,1-diyl)dimethanol(1-hydroxymethylcyclobutyl)methanol1,1-bis(hydroxymethyl)-cyclobutaneCS-D02511,1-Cyclobutanedimethanol, AldrichCPRAKOS006274743
Database identifiers
- CAS
4415-73-0- PubChem CID
- 4498243
- DTXSID
DTXSID30403722- EC Number
- 803-837-7
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.6
Physicochemical properties
- Boiling point
- 145 · 145-147 °C(Press: 20 Torr)
- Density
- 1.0484 g/cm3 · 1.0484 g/cm3
- storage temp.
- 2 · 2-8°C
- pka
- 14.75 · 14.75±0.10(Predicted)
- form
- solid
- color
- Pale yellow
- InChI
- 1S/C6H12O2/c7-4-6(5-8)2-1-3-6/h7-8H,1-5H2
- InChIKey
- AEBIBBWVNCPTNL-UHFFFAOYSA-N
- SMILES
- OCC1(CO)CCC1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- HS Code
- 2906190090 · 2906190090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 · Eye Dam. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- wgk
- 3
- hs_code
- 2906190090
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers81 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海平创化工科技有限公司15001988657 15802146997
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
凯方医药科技（上海）有限公司021-67220633 021-54824098 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
都创（上海）医药科技有限公司021-58099077 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海再启生物技术有限公司021-54824098, 021-37212705 021-37212706, 13391256916 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
浙江泽天精细化工有限公司0571-87322520 18957127338 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海会兴生物科技有限公司（安 徽稠环生物科技有限公司）18621295758; 18621295758 · [email protected]
江阴瑞生化学有限公司13003356808 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Related reactions
36 records
Compound notes
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