3,6-Dimethyl-4-octyne-3,6-diol

HCID 6546
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1321-87-5
Standard SMILES
CCC(C)(O)C#CC(C)(O)CC
InChIKey
NUYADIDKTLPDGG-UHFFFAOYSA-N
Molecular formula
C10H18O2
Average molar mass
170.25 g/mol
Monoisotopic mass
170.13067982

Names & identifiers

Preferred name
3,6-Dimethyl-4-octyne-3,6-diol
IUPAC
3,6-dimethyloct-4-yne-3,6-diol
English name
DIMETHYL OCTYNEDIOL
Molecular formula
C10H18O2
Molecular weight
0

Names & synonyms

78-66-03,6-Dimethyloct-4-yne-3,6-diol3,6-Dimethyl-4-octyne-3,6-diolSurfynol 82Surfynol 854-Octyne-3,6-diol, 3,6-dimethyl-GFO2D7A38QNSC-1025NSC-406738DTXSID1041475RefChem:1066087DTXCID9021475
Show more names
Syrfynol 82
201-131-83,6-Dimethyl-4-octyn-3,6-diolMFCD000044803,6-Dimethyl-octin-4-diol-(3,6)3,6-diol3,6-Dihydroxy-3,6-dimethyl-4-octyne4-Octyne-3, 3,6-dimethyl-NSC 1025

Database identifiers

CAS
1321-87-5、78-66-0
PubChem CID
6546
DTXSID
DTXSID1041475
UNII
EMI4DW1DPY、GFO2D7A38Q
EC Number
201-131-8
Nikkaji
J35.172E

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12

Experimental & physicochemical properties

CosmeticsSolvent; Emulsifying

Physicochemical properties

Cosmetics Ingredients Functions
SURFACTANT - CLEANSINGSURFACTANT - EMULSIFYING
Indirect Additives used in Food Contact Substances
DIMETHYL OCTYNEDIOL
FDA 21 CFR
175.105 · 175.105
FDA UNII
4 DW1DPY · EMI4DW1DPY

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 4-Octyne-3,6-diol, 3,6-dimethyl-

4-Octyne-3,6-diol, 3,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Octyne-3,6-diol, 3,6-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)

4-Octyne-3,6-diol, 3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb
Household ProductsInformation on 2 consumer products that contain Dimethyl octyndiol in the following categories is provided:
Use ClassificationCosmetics -> Solvent; Emulsifying
General Manufacturing Information4-Octyne-3,6-diol, 3,6-dimethyl-: ACTIVE

Suppliers62 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…