(~13~C_4_)Butan-1-ol
Basic information
- CAS
1219589-18-0- Standard SMILES
[13CH3][13CH2][13CH2][13CH2]O- InChIKey
LRHPLDYGYMQRHN-JCDJMFQYSA-N- Molecular formula
- C4H10O
- Average molar mass
- 78.093 g/mol
- Monoisotopic mass
- 78.08658428
Names & identifiers
- Preferred name
- (~13~C_4_)Butan-1-ol
- IUPAC
- (1,2,3,4-13C4)butan-1-ol
- English name
- 1-Butanol-13C4
- Molecular formula
- C4H10O
- Molecular weight
- 78.1576
Names & synonyms
(~13~C_4_)Butan-1-ol1219589-18-0DTXSID10745970RefChem:211338DTXCID90696714(1,2,3,4-13C4)butan-1-ol1-Butanol-13C41-Butanol-13C4, 99 atom % 13C??-Butanol (13C?, 99%)
Database identifiers
- CAS
1219589-18-0- PubChem CID
- 71309697
- DTXSID
DTXSID10745970- EC Number
- 693-653-1
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 13.1
Physicochemical properties
- Boiling point
- 116 · 116-118°C (lit.)
- Density
- 0.853 g/mL · 0.853 g/mL at 25 °C
- form
- liquid
- InChI
- 1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1+1,2+1,3+1,4+1
- InChIKey
- LRHPLDYGYMQRHN-JCDJMFQYSA-N
- SMILES
- [13CH3][13CH2][13CH2][13CH2]O
- UNSPSC Code
- 12352001 · 12352001
- CAS Number Unlabeled
- 71 · 71-36-3
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H226-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- target organs
- Respiratory system
- Hazard Codes
- Xn
- Risk Statements
- 10 · 10-37/38-41
- Safety Statements
- 2 · 2-7/9-13-26-37/39-46
- WGK Germany
- 1 · WGK 1
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- WGK 1
- risk_code
- 10-37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- hazard_code
- Xn
- safety_code
- 2-7/9-13-26-37/39-46
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H302-H226-H335-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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