grindelic acid, 1438-57-9

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CODE153929 CODE153929
Product(s):
1438-57-9 2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

Glentham Life Sciences Ltd

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CODE153929 CODE153929
Product(s):
GK2918 Grindelic Acid

Name:	2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
CAS Number:	1438-57-9	3D/inchi
FDA UNII:	4QX9FCD1IN
Nikkaji Web:	J17.207C
MDL:	MFCD24849311
XlogP3-AA:	4.10 (est)
Molecular Weight:	320.47264000
Formula:	C20 H32 O3
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Melting Point:	100.50 °C. @ 760.00 mm Hg
Boiling Point:	434.70 °C. @ 760.00 mm Hg (est)
Flash Point:	294.00 °F. TCC ( 145.80 °C. ) (est)
logP (o/w):	5.650 (est)
Soluble in:
	water, 0.09366 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

Glentham Life Sciences

Grindelic Acid

Sigma-Aldrich: Sigma

For experimental / research use only.

Grindelic Acid ≥95% (LC/MS-ELSD)

sds

Safety Information:

Preferred SDS: View

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for grindelic acid usage levels up to:
	not for fragrance use.

Recommendation for grindelic acid flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :92885

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

Chemidplus:0001438579

References:

	2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	92885
Pubchem (sid):	135051662

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

found in nature

Synonyms:

9,13-	epoxylabd-7-en-15-oic acid
	labd-7-en-15-oic acid, 9,13-epoxy-
2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-	pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

Articles:

PubMed:Derivatives of grindelic acid: from a non-active natural diterpene to synthetic antitumor derivatives.

PubMed:Stereo- and regioselective hydroxylation of grindelic acid derivatives by Aspergillus niger.

PubMed:Manoyl oxide alpha-arabinopyranoside and grindelic acid diterpenoids from Grindelia integrifolia.

PubMed:Phytotoxic compounds from Xanthocephalum gymnospermoides var. eradiatum.

PubMed:Diterpenoid acids from Grindelia nana.

Notes:

None found

grindelic acid labd-7-en-15-oic acid, 9,13-epoxy-

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Articles:

grindelic acid
labd-7-en-15-oic acid, 9,13-epoxy-