NTP CHEMICAL REPOSITORY (RADIAN CORPORATION, AUGUST 29, 1991)
IDENTIFIERS
CATALOG ID NUMBER: 000237
CAS NUMBER: 94-59-7
BASE CHEMICAL NAME: SAFROLE
PRIMARY NAME: SAFROLE
CHEMICAL FORMULA: C10H10O2
STRUCTURAL FORMULA:
WLN: T56 BO DO CHJ G2U1
SYNONYMS:
4-ALLYL-1,2-(METHYLENEDIOXY)BENZENE
1,2-METHYLENEDIOXY-4-ALLYLBENZENE
3,4-METHYLENEDIOXY-ALLYLBENZENE
5-(2-PROPENYL)-1,3-BENZODIOXOLE
5-ALLYL-1,3-BENZODIOXOLE
ALLYLCATECHOL METHYLENE ETHER
1-ALLYL-3,4-METHYLENEDIOXYBENZENE
M-ALLYLPYROCATECHIN METHYLENE ETHER
4-ALLYLPYROCATECHOL FORMALDEHYDE ACETAL
ALLYLPYROCATECHOL METHYLENE ETHER
1,3-BENZODIOXOLE, 5-ALLYL-
NCI-C00362
SAFROL
SHIKIMOLE
RHYUNO OIL
SAFROLE MF
SHIKOMOL
PHYSICAL CHEMICAL DATA
PHYSICAL DESCRIPTIONS: LITERATURE: Colorless or slightly yellow liquid.
REPOSITORY: Clear colorless liquid
MOLECULAR WEIGHT: 162.19
SPECIFIC GRAVITY: 1.100 @ 20/4 C
DENSITY: Not available
MP (DEG C): 11.2 C
BP (DEG C): 232-234 C
SOLUBILITIES:
WATER : <1 mg/mL @ 18 C (RAD)
DMSO : >=100 mg/mL @ 20 C (RAD)
95% ETHANOL : >=100 mg/mL @ 20 C (RAD)
METHANOL : Not available
ACETONE : >=100 mg/mL @ 20 C (RAD)
TOLUENE : Not available
OTHER SOLVENTS:
Chloroform: Very soluble
Propylene glycol: Slightly soluble
Glycerol: Insoluble
ETHER : Very soluble
VOLATILITY:
Vapor pressure: 1 mm Hg @ 63.8 C
Vapor density : Not available
FLAMMABILITY(FLASH POINT):
The flash point for this chemical is 97 C (208 F); it is combustible. Fires
involving this compound should be controlled using a dry chemical, carbon
dioxide or Halon extinguisher.
UEL: Not available LEL: Not available
REACTIVITY: Not available
STABILITY:
Solutions of this chemical should be stable for 24 hours under normal lab
conditions (RAD). This chemical is stable under normal laboratory conditions.
OTHER PHYSICAL DATA:
Sassafras odor.
Refractive index: 1.538 @ 20 C
TOXICITY
NIOSH REGISTRY NUMBER: CY2800000
TOXICITY:
typ. dose mode specie amount unit other
LD50 orl rat 1950 mg/kg
LD50 orl mus 2350 mg/kg
LDLo ipr mus 64 mg/kg
LDLo scu cat 500 mg/kg
LDLo orl rbt 1000 mg/kg
LDLo scu rbt 1000 mg/kg
LDLo ivn rbt 200 mg/kg
AQTX/TLM96: Not available
SAX TOXICITY EVALUATION:
THR = HIGH via intraperarcinogen, neoplastingen and equivocal tumorigenic
agent. A powerful oral irritant. MUTAGEN data. Affects liver.
CARCINOGENICITY:
Tumorigenic Data:
TDLo: orl-rat 200 gm/kg/94W-C
LDLo: orl-mus 22 gm/kg/90W-I
TDLo: orl-mus 480 mg/kg (12-18D preg)
TDLo: ipr-mus 900 mg/kg/8W-I
TD : orl-mus 210 gm/kg/52W-C
TD : orl-mus 121 gm/kg/36W-C
TD : orl-mus 212 gm/kg/1Y-C
TD : orl-mus 187 gm/kg/56W-C
TD : orl-mus 132 gm/kg/81W-I
TD : orl-mus 175 gm/kg/52W-C
TD : orl-mus 252 gm/kg/75W-C
TD : orl-mus 106 gm/kg/1Y-C
TD : orl-mus 56 gm/kg/52W-C
TD : orl-rat 183 gm/kg/2Y-C
Review: IARC Cancer Review: Animal Sufficient Evidence
IARC possible human carcinogen (Group 2B) [610]
Status: EPA Carcinogen Assessment Group [610]
NTP anticipated human carcinogen [610]
MUTATION DATA:
test lowest dose test lowest dose
---------- ---------------- | ---------- ----------------
mma-sat 600 pmol/plate | mmo-sat 50 ug/plate
dnr-esc 25 mg/L | mma-esc 5 gm/L
mrc-smc 175 ppm | mma-smc 22 mg/L
hma-mus/sat 5500 mg/kg | dnd-bcs 20 uL/disc
otr-ham:kdy 80 ug/L | dnr-smc 100 mg/L
sln-smc 25 mg/L | otr-rat-orl 150 mg/kg
dnd-rat:lvr 3 mmol/L | dns-rat:lvr 1 umol/L
msc-mus:lym 15400 ug/L | otr-ham:emb 625 ppm
TERATOGENICITY:
Reproductive Effects Data:
TDLo: ipr-mus 1 gm/kg (5D male)
STANDARDS, REGULATIONS & RECOMMENDATIONS:
OSHA: None
ACGIH: None
NIOSH Criteria Document: None
NFPA Hazard Rating: Health (H): None
Flammability (F): 1
Reactivity (R): 0
F1: Materials that must be preheated before ignition can occur (see NFPA
for details).
R0: Materials which are normally stable even under fire exposure conditions
and which are not reactive with water (see NFPA for details).
OTHER TOXICITY DATA:
Skin and Eye Irritation Data:
skn-rbt 500 mg/24H MOD
Review: Toxicology Review-2
Status: Reported in EPA TSCA Inventory, 1983
EPA Genetic Toxicology Program, January 1984
Meets criteria for proposed OSHA Medical Records Rule
OTHER DATA (Regulatory)
PROPER SHIPPING NAME (IATA): Not restricted
UN/ID NUMBER:
HAZARD CLASS: SUBSIDIARY RISK: PACKING GROUP:
LABELS REQUIRED:
PACKAGING: PASSENGER: PKG. INSTR.: MAXIMUM QUANTITY:
CARGO : PKG. INSTR.: MAXIMUM QUANTITY:
SPECIAL PROVISIONS:
USES:
In perfumery; denaturing fats in soap manufacture of heliotropin;
topical antiseptic; pediculicide; carminative.
HANDLING PROCEDURES
ACUTE/CHRONIC HAZARDS:
This material will cause severe irritation if ingested.
MINIMUM PROTECTIVE CLOTHING:
If Tyvek-type disposable protective clothing is not worn during
handling of this chemical, wear disposable Tyvek-type sleeves taped to
your gloves.
RECOMMENDED GLOVE MATERIALS: Not available
RECOMMENDED RESPIRATOR:
Where the neat test chemical is weighed and diluted, wear a NIOSH-
approved half face respirator equipped with a combination filter cartridge,
i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid
gas, SO2 and a high efficiency particulate filter).
OTHER:
Since this chemical is a known or suspected carcinogen you should contact
a physician for advice regarding the possible long term health effects and
potential recommendation for medical monitoring. Recommendations from the
physician will depend upon the specific compound, its chemical, physical and
toxicity properties, the exposure level, length of exposure, and the route
of exposure.
STORAGE PRECAUTIONS:
You should store this material in a refrigerator. STORE AWAY
FROM SOURCES OF IGNITION.
SPILLS AND LEAKAGE:
If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then,
use absorbent paper to pick up all liquid spill material. Your contaminated
clothing and absorbent paper should be sealed in a vapor-tight plastic bag for
eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol
followed by washing with a soap and water solution. Do not reenter the
contaminated area until the Safety Officer (or other responsible person) has
verified that the area has been properly cleaned.
DISPOSAL AND WASTE TREATMENT:
You should dispose of all waste and contaminated materials
associated with this chemical as specified by existing local,
state and federal regulations concerning hazardous waste disposal.
It is suggested that your contaminated materials should be destroyed
by incineration in a special, high temperature ( >2000 degrees F),
chemical incinerator facility.
EMERGENCY PROCEDURES
SKIN CONTACT:
IMMEDIATELY flood affected skin with water while removing and isolating
all contaminated clothing. Gently wash all affected skin areas thoroughly
with soap and water.
IMMEDIATELY call a hospital or poison control center even if no symptoms
(such as redness or irritation) develop.
IMMEDIATELY transport the victim to a hospital for treatment after
washing the affected areas.
INHALATION:
IMMEDIATELY leave the contaminated area; take deep breaths of fresh air.
IMMEDIATELY call a physician and be prepared to transport the victim to a
hospital even if no symptoms (such as wheezing, coughing, shortness of breath,
or burning in the mouth, throat, or chest) develop.
Provide proper respiratory protection to rescuers entering an unknown
atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA)
should be used; if not available, use a level of protection greater than or
equal to that advised under Respirator Recommendation.
EYE CONTACT:
First check the victim for contact lenses and remove if present. Flush
victim's eyes with water or normal saline solution for 20 to 30 minutes while
simultaneously calling a hospital or poison control center.
Do not put any ointments, oils, or medication in the victim's eyes without
specific instructions from a physician.
IMMEDIATELY transport the victim after flushing eyes to a hospital even if
no symptoms (such as redness or irritation) develop.
INGESTION:
DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing,
give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a
hospital or poison control center. Be prepared to transport the victim to a
hospital if advised by a physician.
If the victim is convulsing or unconscious, do not give anything by mouth,
ensure that the victim's airway is open and lay the victim on his/her side with
the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport
the victim to a hospital.
SYMPTOMS:
This compound can cause vomiting, shock, cyanosis, delirium and probably
convulsions.
SOURCES
SOURCES:
Sax, N.I. Dangerous Properties of Industrial Materials. 6th Ed.
Van Nostrand Reinhold. New York. 1984. p. 2378.
International Agency for Research on Cancer, World Health
Organization. IARC Monographs on the Evaluation of
Carcinogenic Risk of Chemicals to Man. International
Agency for Research on Cancer. Geneva. 1973-1979.
Vol. 10, pp. 231-244.
Occupational Safety and Health Administration. Tentative
OSHA Listing of Confirmed and Suspected Carcinogens by
Category. Occupational Safety and Health Administration.
Washington, DC. 1979. Listed.
Aldrich Chemical Company. Aldrich Catalog/Handbook of Fine
Chemical. Aldrich Chemical Co., Inc. Milwaukee, WI.
1982. p. 1030, no. S20-8.
Gosselin, R.E., H.C. Hodge, R.P. Smith and M.N. Gleason. Clinical
Toxicology of Commercial Products. 4th Ed. Williams and
Wilkins, Co. Baltimore. 1976. p. 169, no. 767.
Oak Ridge National Laboratory. Environmental Teratogen Information
Center (ETIC), Bibliographic Data Base. Oak Ridge National
Laboratory. Oak Ridge, TN. Listed.
Oak Ridge National Laboratory. Environmental Mutagen Information
Center (EMIC), Bibliographic Data Base. Oak Ridge National
Laboratory. Oak Ridge, TN. Listed.
U.S. Environmental Protection Agency, Office of Toxic Substances.
Toxic Substances Control Act Chemical Substances Inventory,
Initial Inventory. 6 Vols. U.S. Environmental Protection
Agency. Washington, D.C. 1979. Listed.
Hawley, G.G., Ed. The Condensed Chemical Dictionary. 10th Ed.
Van Nostrand Reinhold. New York. 1981. p. 906.
Windholz, M., Ed. The Merck Index. 9th Ed. Merck and Co.
Rahway, NJ. 1976. p. 1078, no. 8076.
Buckingham, J., Ed. Dictionary of Organic Compounds. 5th Ed.
Chapman and Hall. New York. 1982. Vol. 1; pp. 117-118, no. A-816.
Weast, R.C. and M.A. Astle, Eds. CRC Handbook of Chemistry
and Physics. 63rd Ed. CRC Press, Inc. Boca Raton, FL.
1982. p. C-508, no. 13082.
Lewis, R.J., Sr. and R.L. Tatken, Eds. Registry of Toxic Effects
of Chemical Substances. Microfiche Ed. National Institute for
Occupational Safety and Health. Cincinnati, OH. Quarterly
Updates. CY2800000.
[610] Clansky, Kenneth B., Ed. Suspect Chemicals Sourcebook: A Guide to
Industrial Chemicals Covered Under Major Federal Regulatory and
Advisory Programs. Roytech Publications, Inc. Burlingame, CA.
1990. Section 3, p. 29.
[620] United States National Toxicology Program. Chemical Status Report.
NTP Chemtrack System. Research Triangle Park, NC. November 6, 1990.
Not listed.
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