Basic information
- CAS
19550-07-3- Standard SMILES
CC(C)CC(O)C(C)C- InChIKey
SNKTZHPOKPYBPT-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Names & identifiers
- Preferred name
- 2,5-Dimethylhexan-3-ol
- IUPAC
- 2,5-dimethylhexan-3-ol
- English name
- 2,5-DIMETHYL-3-HEXANOL
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
2,5-Dimethyl-3-hexanol2,5-Dimethylhexan-3-ol19550-07-3EINECS 243-152-5DTXSID70871300NSC 95420RefChem:444582DTXCID10818971243-152-53-Hexanol, 2,5-dimethyl-MFCD00026452NSC95420
Show more names
2,5-Dimethylhexane-3-olISOBUTYL ISOPROPYL CARBINOL
SCHEMBL107498SCHEMBL234405SCHEMBL4397482SCHEMBL7357059SCHEMBL8436577NSC-95420AKOS009158757SB85061
Database identifiers
- CAS
19550-07-3- PubChem CID
- 89183
- DTXSID
DTXSID70871300- EC Number
- 243-152-5
- Nikkaji
- J110.666J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 67
Physicochemical properties
- Melting point
- -61.15 °C · -61.15°C (estimate)
- Boiling point
- 65 °C · 65 °C / 15mmHg
- Density
- 0 · 0,82 g/cm3
- refractive index
- 1.422 · 1.4220-1.4250
- pka
- 15.17 · 15.17±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 7.2 · 7.2×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997)
- CAS DataBase Reference
- 19550 · 19550-07-3(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
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
Danger
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Safety data
- ridadr
- 1987
- hs_code
- 2905.16.0050
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers28 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [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]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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