Basic information
- CAS
590-36-3- Standard SMILES
CCCC(C)(C)O- InChIKey
WFRBDWRZVBPBDO-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Overview
2-methylpentan-2-ol appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.
Names & identifiers
- Preferred name
- 2-Methylpentan-2-ol
- IUPAC
- 2-methylpentan-2-ol
- English name
- 2-Methyl-2-pentanol
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
2-METHYL-2-PENTANOL2-Methylpentan-2-ol590-36-32-Pentanol, 2-methyl-2-Hydroxy-2-methylpentane1,1-Dimethylbutanol1,1-dimethyl-1-butanol2-Methyl-2-hydroxypentaneUNII-HU2SO831KPHU2SO831KPMethyl-2 pentanol-2Dimethyl propyl carbinol
Show more names
2-methyl-2-pentano2-methyl-pentan-2-ol2-Pentanol,2-methyl-DIMETHYLPROPYLCARBINOL
NSC 8686NSC-8686EINECS 209-681-0UN25604-METHYL-4-PENTANOLDTXSID40604402-METHYL-2-AMYL ALCOHOL4-HYDROXY-4-METHYLPENTANE
Database identifiers
- CAS
590-36-3- PubChem CID
- 11543
- DTXSID
DTXSID4060440- ChEMBL
CHEMBL450417- UNII
- HU2SO831KP
- EC Number
- 209-681-0
- Nikkaji
- J59.832A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48.1
Experimental & physicochemical properties
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Vapor Pressure8.6 [mmHg]
Physical Description
2-methylpentan-2-ol appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.
Colorless liquid; [CAMEO]
Liquid
Physicochemical properties
- Melting point
- -107 °C · -107 °C
- Boiling point
- 120 · 120-122 °C(lit.)
- Density
- 0.835 g/mL · 0.835 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.411(lit.)
- FLAVIS Number
- 2.181 · 02.181 | 2-Methylpentan-2-ol
- Flash point
- 70 °F · 70 °F
- storage temp.
- Flammables area
- solubility
- 32.4 g/l · 32.4g/l
- pka
- 15.38 · 15.38±0.29(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 1 %indipropylene · at 1.00%indipropylene glycol. pungent
- explosive limit
- 1.1 · 1.1-7%(V)
- Water Solubility
- 20 °C · Soluble in water at 20°C 32g/L. Soluble in alcohol.
- BRN
- 1718951 · 1718951
- Henry's Law Constant
- 2.8 · 2.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
- 1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
- InChIKey
- WFRBDWRZVBPBDO-UHFFFAOYSA-N
- SMILES
- CCCC(C)(C)O
- LogP
- 1.603 · 1.603 (est)
- CAS DataBase Reference
- 590 · 590-36-3(CAS DataBase Reference)
- FDA UNII
- 2 SO831KP · HU2SO831KP
- EPA Substance Registry System
- 2 · 2-Methyl-2-pentanol (590-36-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2560 · UN 2560
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29051900 · 29051900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Pentanol, 2-methyl-: HSNO Approval: HSR001259 Approved with controls
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards SummaryHighly flammable; [CAMEO] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Methyl-1-pentanol.
DOT ID and Guide2560 129
Reactive GroupAlcohols and Polyols
Reactivity AlertsHighly Flammable
Reactivity Profile
2-METHYLPENTAN-2-OL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
DOT Hazard Classification
2-Methylpentan-2-ol
UN2560
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety & protection
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2560
- hs_code
- 29051900
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Uses & manufacturing
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing Information2-Pentanol, 2-methyl-: ACTIVE
Applications
UsesIt is used to study its antagonist activity. It reacts with a second target site to alter the spatial relation between the hydrophobic agonist binding site and the allosteric site. It may initiate the polymerization of isocyanates and epoxides.
General DescriptionA colorless liquid. Less dense than water. Flash point 99°F. Vapors heavier than air. Used to make other chemicals.
Upstream & downstream products
Upstream raw materials
Suppliers45 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
盼得（上海）国际贸易有限公司80159919 18662931292 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
武汉吉鑫益邦生物科技有限公司59768661 13297943853 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海珅桔化工有限公司13167128868 13248068001 · [email protected]
江苏博思特化工科技有限公司87161895 15651337098 · [email protected]
江苏雷恩环保科技有限公司66814573 16651336298 · [email protected]
南通润丰石油化工有限公司66814565 18912298907 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Related reactions
1 records
Compound notes
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