Basic information
- Standard SMILES
CCCCCCCCC(CO)CCCCCC- InChIKey
XULHFMYCBKQGEE-UHFFFAOYSA-N- Molecular formula
- C16H34O
- Average molar mass
- 242.44 g/mol
- Monoisotopic mass
- 242.26096571
Overview
2-hexyl-1-Decanol is an aliphatic alcohol.
Names & identifiers
- Preferred name
- 2-Hexyl-1-decanol
- IUPAC
- 2-hexyldecan-1-ol
- English name
- 2-Hexyl-1-decanol
- Molecular formula
- C16H34O
- Molecular weight
- 242.44
Names & synonyms
2-Hexyl-1-decanol2425-77-6Hexyldecanol1-Decanol, 2-hexyl-Guerbitol 16Rilanit G 16Isofol 16DTXSID1041265NJCOL 160151Z7P1317NSC-2399DTXCID9021265
Show more names
2-Hexyl-decan-1-ol2-hexyl-1-decanoEA4892-HexyLC610-OHNSC 2399-1-decanoLGuerbet C16
isopalmityl alcoholRefChem:472905STANDAMUL GT 16DTXCID70254614219-370-1DTXSID003034822-Hexyldecan-1-ol2-Hexyldecanol
Database identifiers
- CAS
2425-77-6- PubChem CID
- 95337
- DTXSID
DTXSID1041265- ChEMBL
CHEMBL3560208- ChEBI
CHEBI:183266- UNII
- 151Z7P1317
- EC Number
- 219-370-1
- Nikkaji
- J216.071D
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsSkin conditioning; Humectant; Solvent
FragrancesFragrance Ingredient (1-_Decanol, 2-_hexyl-) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
Liquid
Colorless oily liquid with a mild sweet odor; [Sasol MSDS]
Physicochemical properties
- Melting point
- -21 · -21--15 °C (lit.)
- Boiling point
- 193 · 193-197 °C/33 mmHg (lit.)
- Density
- 0.836 g/mL · 0.836 g/mL at 25 °C (lit.)
- vapor pressure
- 0.4 Pa · 0.4Pa at 148.85℃
- refractive index
- 20 · n20/D 1.449(lit.)
- Flash point
- 113 °C · 113 °C
- storage temp.
- Refrigerator
- solubility
- Benzene (Sparingly), Chloroform (Sparingly), Methanol (Slightly)
- pka
- 15.08 · 15.08±0.10(Predicted)
- form
- Oil
- color
- Clear Colourless
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- InChI
- 1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
- InChIKey
- XULHFMYCBKQGEE-UHFFFAOYSA-N
- SMILES
- CCCCCCCCC(CO)CCCCCC
- LogP
- 6.66 at · 6.66 at 20℃
- FDA UNII
- 151 Z7P1317 · 151Z7P1317
- NIST Chemistry Reference
- 1 · 1-Decanol, 2-hexyl-(2425-77-6)
- EPA Substance Registry System
- 1 · 1-Decanol, 2-hexyl- (2425-77-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 413 · H413
- Precautionary statements
- 501 · P501-P273
- WGK Germany
- nwg
- TSCA
- TSCA listed
- HS Code
- 2905.19 · 2905.19.9090
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 99.4% (351 of 353) of all reports.
Not Classified
Aggregated GHS information provided per 353 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Decanol, 2-hexyl-
1-Decanol, 2-hexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanol, 2-hexyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 08-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5585
1-Decanol, 2-hexyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye, nose, and throat irritant; Inhalation may cause dizziness and headache; [Sasol MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- nwg
- tsca
- TSCA listed
- hs_code
- 2905.19.9090
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H413
- REACH Registrations
- Active
- Precautionary statements
- P501-P273
Chemistry & industry
Uses & manufacturing
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 5,000,000 - <10,000,000 lb
Consumer UsesLubricating agent
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 2 consumer products that contain Hexyldecanol in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Skin conditioning; Humectant; Solvent
General Manufacturing Information
Fabricated Metal Product Manufacturing
1-Decanol, 2-hexyl-: ACTIVE
Applications
UsesA compound isolated from different parts of Lonicera japonica Thunb. It is used in cosmetic and pharmaceutical preparations.
Uses2-Hexyl-1-decanol may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME).
General Description2-Hexyl-1-decanol is a branched alcohol. It is one of the constituent of the essential oil, extracted from the roots of Adiantum flabellulatum. It is a long-chain glass forming monohydroxy alcohol and its dielectric relaxation at low temperature has been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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南京东德化工科技有限公司025-85282271 13851695187 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
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武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
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艾科试剂4008-755-333 18080918076 · [email protected]
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Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
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武汉市承天精细化工有限公司18164098996 · [email protected]
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山东西亚化学有限公司4009903999 13395398332 · [email protected]
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成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
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BOC Sciences[email protected]
湖北鸿鑫瑞宇精细化工有限公司027-65526929 15102793023 · [email protected]
Additional notes
DefinitionChEBI: 2-hexyl-1-Decanol is an aliphatic alcohol.
Related reactions
24 records
Linked notes
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