Basic information
- CAS
2819-05-8- Standard SMILES
CC(C)(C)C(CO)CO- InChIKey
LQPVVSDKTCYYBZ-UHFFFAOYSA-N- Molecular formula
- C7H16O2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.11502975
Names & identifiers
- Preferred name
- 2-Tert-butylpropane-1,3-diol
- IUPAC
- 2-tert-butylpropane-1,3-diol
- English name
- 2-TERT-BUTYLPROPANE-1,3-DIOL
- Molecular formula
- C7H16O2
- Molecular weight
- 132.2
Names & synonyms
2-tert-butylpropane-1,3-diolRefChem:483690997-087-92819-05-82-(tert-butyl)propane-1,3-diol1,3-Propanediol, 2-tert-butyl-MFCD010757452-tert-Butyl-1,3-propanediol1,3-Propanediol, 2-(1,1-dimethylethyl)-NSC268916BRN 19006872-t-butylpropane-1,3-diol
Show more names
2-tert-butyl-3-propanediol
SCHEMBL23001442-tert.-butylpropane-1,3-diolDTXSID80182459AKOS028108472AT44422NSC 268916NSC-2689163,3-Dimethyl-2-(hydroxymethyl)-1-butanol
Database identifiers
- CAS
2819-05-8- PubChem CID
- 100226
- DTXSID
DTXSID80182459- EC Number
- 997-087-9
- Nikkaji
- J1.343.955I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69
Physicochemical properties
- Melting point
- 54 · 54-56°C
- Boiling point
- 100 · 100-102°C 2mm
- Flash point
- 100 · 100-102°C/2mm
- BRN
- 1900687 · 1900687
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- RTECS
- 3540020 · TY3540020
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- rtecs
- TY3540020
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers12 total
天津莱诺贝德科技有限公司022-87899851 18522914591
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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