7-Octene-1,6-diol, 3,7-dimethyl-
Basic information
- CAS
22460-95-3- Standard SMILES
C=C(C)C(O)CCC(C)CCO- InChIKey
HWNJNAUJFVQJRV-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 7-Octene-1,6-diol, 3,7-dimethyl-
- IUPAC
- 3,7-dimethyloct-7-ene-1,6-diol
- English name
- 3,7-dimethyloct-7-ene-1,6-diol
- Molecular formula
- C10H20O2
- Molecular weight
- 172.2646
Names & synonyms
3,7-Dimethyloct-7-ene-1,6-diol22460-95-37-Octene-1,6-diol, 3,7-dimethyl-EINECS 245-015-5DTXSID40865054RefChem:546934DTXCID70813508245-015-5SCHEMBL344700HWNJNAUJFVQJRV-UHFFFAOYSA-NDB-284380NS00012320
Show more names
ROSEGLYCOL3,7-Dimethyl-7-octene-1,6-diol2,6-Dimethyl-1-octene-3,8-diol
Database identifiers
- CAS
22460-95-3- PubChem CID
- 90790
- DTXSID
DTXSID40865054- EC Number
- 245-015-5
- Nikkaji
- J25.058I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Odor
- 100 % · at 100.00%. rose
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 1.385 · 1.385 (est)
- EPA Substance Registry System
- 7 · 7-Octene-1,6-diol, 3,7-dimethyl- (22460-95-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 47.2% (60 of 127) of reports.
Warning
H315 (42.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 7-Octene-1,6-diol, 3,7-dimethyl-
Hazard Classes and CategoriesSkin Irrit. 2 (42.5%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H317
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Octene-1,6-diol, 3,7-dimethyl-: ACTIVE
Related reactions
3 records
Compound notes
Loading…