Basic information
- CAS
13254-34-7- Standard SMILES
CC(C)CCCC(C)(C)O- InChIKey
HGDVHRITTGWMJK-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 2,6-Dimethyl-2-heptanol
- IUPAC
- 2,6-dimethylheptan-2-ol
- English name
- 2,6-Dimethyl-2-heptanol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
2,6-Dimethyl-2-heptanol2,6-Dimethylheptan-2-ol13254-34-72-Heptanol, 2,6-dimethyl-DimetolFreesiolLolitolDTXSID6041424DTXCID4021424991142090ZRefChem:83282236-244-1
Show more names
2,6-Dimetolfreesia heptanolDIMETOL (code:4609001)2,6-dimethyl-2-heptano2,6-dimethylheptan-1-ol
MFCD00072198EINECS 236-244-1BRN 1733525UNII-991142090ZSCHEMBL818852-01-00-00457 (Beilstein Handbook Reference)2,6-Dimethyl-2-heptanol #2,6-Dimethyl n-heptan-2-ol
Database identifiers
- CAS
13254-34-7- PubChem CID
- 83268
- DTXSID
DTXSID6041424- ChEMBL
CHEMBL3187118- UNII
- 991142090Z
- EC Number
- 236-244-1
- Nikkaji
- J1.972.958C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 84
Experimental & physicochemical properties
Physical DescriptionLiquid; CBI
Kovats Retention Index1023
Physicochemical properties
- Melting point
- -10 °C · -10 °C
- Boiling point
- 180 °C · 180 °C
- Density
- 0.81 · 0.81
- vapor pressure
- 18.5 Pa · 18.5Pa at 20℃
- refractive index
- 1.425 · 1.425-1.427
- RTECS
- 3324950 · MJ3324950
- FLAVIS Number
- 2.219 · 02.219 | 2,6-Dimethyl-2-heptanol
- Flash point
- 63 °C · 63 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- solid
- pka
- 15.34 · 15.34±0.29(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Odor
- 100 % · at 100.00 %. fresh dihydrolinalool floral woody citrus herbal
- Odor Type
- herbal
- Water Solubility
- SLIGHTLY SOLUBLE
- Henry's Law Constant
- 5.9 · 5.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3
- InChIKey
- HGDVHRITTGWMJK-UHFFFAOYSA-N
- SMILES
- CC(C)CCCC(C)(C)O
- LogP
- 3 · 3
- CAS DataBase Reference
- 13254 · 13254-34-7(CAS DataBase Reference)
- FDA UNII
- 991142090 Z · 991142090Z
- NIST Chemistry Reference
- 2 · 2-Heptanol, 2,6-dimethyl-(13254-34-7)
- EPA Substance Registry System
- 2 · 2-Heptanol, 2,6-dimethyl- (13254-34-7)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 210 e-P261-P280a-P305+P351+P338-P405-P501a · P210e-P261-P280a-P305+P351+P338-P405-P501a
- Risk Statements
- 41 · 41
- Safety Statements
- 24 · 24/25-39-26
- WGK Germany
- 1 · WGK 1
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (4 of 1853) of reports.
Warning
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (99.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1853 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 1853 reports by companies.；There are 5 notifications provided by 1849 of 1853 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2-Heptanol, 2,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Heptanol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanol, 2,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19403
2,6-Dimethylheptan-2-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (99.8%)；Eye Irrit. 2 (99.8%)
Regulatory information
Regulatory Information
Chemical: 2-Heptanol, 2,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Heptanol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanol, 2,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19403
2,6-Dimethylheptan-2-ol: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- WGK 1
- tsca
- TSCA listed
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-39-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P210e-P261-P280a-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 7,000,000 - <8,500,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 39 consumer products that contain 2,6-Dimethylheptanol in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing
2-Heptanol, 2,6-dimethyl-: ACTIVE
Applications
Uses2,6-Dimethyl-2-heptanol is used in preparation and analytical study of perfumes . It is also used in preparation of 3''-ketoglycoside compounds with insect repellent effect.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [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]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
湖北冠众通科技有限公司0716-7227299 13507251920
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
吉良化学21-62165282 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
泰安嘉岳生物化工有限公司15318151873 13561760680 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
湖北省圣宝莱生物科技有限公司027-86-027-59105235 15527244834 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
康幸生物科技（上海）有限公司021-61556450 15800904410
上海西陇生化科技有限公司021-52907766-8042
Related reactions
3 records
Compound notes
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